TM 6089

CAT: 0926-NJB42132-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-NJB42132-02Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

863421-32-3

Smiles

CN1C (=C (C (=O) N (C1=O) C) C (=O) CSC2=CC=CC=N2) N

Molecular Formula

C13H14N4O3S

Molecular Weight

306.34 g/mol

Controlled

Chemical Information

6-Amino-1,3-dimethyl-5-(2-pyridin-2-ylsulfanylacetyl)pyrimidine-2,4-dione

CAS Number	863421-32-3
PubChem CID	2352701
IUPAC Name	6-amino-1,3-dimethyl-5-(2-pyridin-2-ylsulfanylacetyl)pyrimidine-2,4-dione
Molecular Formula	C13H14N4O3S
Molecular Weight	306.34
XLogP	0.9
Topological Polar Surface Area	122
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	506

SMILES

CN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=CC=CC=N2)N

InChI

InChI=1S/C13H14N4O3S/c1-16-11(14)10(12(19)17(2)13(16)20)8(18)7-21-9-5-3-4-6-15-9/h3-6H,7,14H2,1-2H3

InChIKey

UWXHGWIWBWQJNU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 863421-32-3

CID: 2352701

Formula: C13H14N4O3S

MW: 306.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	306.34
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	306.07866149
Monoisotopic Mass	306.07866149
Topological Polar Surface Area	122 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	506
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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