GDP366

CAT: 0926-BVA69803-05Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-BVA69803-05Size:50 mg

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

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CAS Number

501698-03-9

Smiles

CC1=CC (=CC=C1) NC (=O) NC2=CC=C (C=C2) C3=CSC4=NC=NC (=C34) N

Molecular Formula

C20H17N5OS

Molecular Weight

375.45 g/mol

Controlled

Chemical Information

1-[4-(4-Aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-methylphenyl)urea

CAS Number	501698-03-9
PubChem CID	6539985
IUPAC Name	1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-methylphenyl)urea
Molecular Formula	C20H17N5OS
Molecular Weight	375.4
XLogP	3.8
Topological Polar Surface Area	121
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	27
Formal Charge	0
Complexity	513

SMILES

CC1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)C3=CSC4=NC=NC(=C34)N

InChI

InChI=1S/C20H17N5OS/c1-12-3-2-4-15(9-12)25-20(26)24-14-7-5-13(6-8-14)16-10-27-19-17(16)18(21)22-11-23-19/h2-11H,1H3,(H2,21,22,23)(H2,24,25,26)

InChIKey

DZSUJUOJJJCWGG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 501698-03-9

CID: 6539985

Formula: C20H17N5OS

MW: 375.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	375.4
XLogP3	3.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	375.11538136
Monoisotopic Mass	375.11538136
Topological Polar Surface Area	121 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	513
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

Catalog	Name
BA3518-5	GDP366