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MDPD

CAT: 0013-GTR19197093-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197093-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MDPD
CAS Number
693265-89-3
Field of Research
Metabolism Research, Neuroscience
Smiles
O=C1C2=C (N (C=C2N (C) C (=O) N1C) C3=C (OC) C=CC=C3) C4=CC=CC=C4
Molecular Formula
C21H19N3O3
Molecular Weight
361.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-(2-methoxyphenyl)-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CAS Number693265-89-3
PubChem CID1316977
IUPAC Name6-(2-methoxyphenyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione
Molecular FormulaC21H19N3O3
Molecular Weight361.4
XLogP2.8
Topological Polar Surface Area54.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity577
SMILES
CN1C2=CN(C(=C2C(=O)N(C1=O)C)C3=CC=CC=C3)C4=CC=CC=C4OC
InChI
InChI=1S/C21H19N3O3/c1-22-16-13-24(15-11-7-8-12-17(15)27-3)19(14-9-5-4-6-10-14)18(16)20(25)23(2)21(22)26/h4-13H,1-3H3
InChIKey
MWJBSSXENNRICD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(2-methoxyphenyl)-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CAS: 693265-89-3
CID: 1316977
Formula: C21H19N3O3
MW: 361.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight361.4
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass361.14264148
Monoisotopic Mass361.14264148
Topological Polar Surface Area54.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity577
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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