3-(3-chlorophenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one

Systemtic Name: 3-(3-chlorophenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 3-(3-chlorophenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one CAS Name: 3-(3-chlorophenyl)-2-[(7H-purin-6-ylthio)methyl]-4-quinazolinone IUPAC Name: 3-(3-chlorophenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 3-(3-chlorophenyl)-2-[(7H-purin-6-ylthio)methyl]quinazolin-4-one Formula: C20H13ClN6OS MolecularWeight: 420.87482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC=NC4=C3NC=N4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC=NC4=C3NC=N4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C20H13ClN6OS/c21-12-4-3-5-13(8-12)27-16(26-15-7-2-1-6-14(15)20(27)28)9-29-19-17-18(23-10-22-17)24-11-25-19/h1-8,10-11H,9H2,(H,22,23,24,25)