3-phenyl-2-(7H-purin-6-ylsulfanylmethyl)thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 3-phenyl-2-(7H-purin-6-ylsulfanylmethyl)thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-phenyl-2-(7H-purin-6-ylsulfanylmethyl)thieno[3,2-d]pyrimidin-4-one CAS Name: 3-phenyl-2-[(7H-purin-6-ylthio)methyl]-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-phenyl-2-(7H-purin-6-ylsulfanylmethyl)thieno[3,2-d]pyrimidin-4-one Traditional Name: 3-phenyl-2-[(7H-purin-6-ylthio)methyl]thieno[3,2-d]pyrimidin-4-one Formula: C18H12N6OS2 MolecularWeight: 392.45748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NC3=C(C2=O)SC=C3)CSC4=NC=NC5=C4NC=N5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NC3=C(C2=O)SC=C3)CSC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C18H12N6OS2/c25-18-15-12(6-7-26-15)23-13(24(18)11-4-2-1-3-5-11)8-27-17-14-16(20-9-19-14)21-10-22-17/h1-7,9-10H,8H2,(H,19,20,21,22)