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

Systemtic Name: 3-(3,4-dichlorophenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 3-(3,4-dichlorophenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one CAS Name: 3-(3,4-dichlorophenyl)-2-[(7H-purin-6-ylthio)methyl]-4-quinazolinone IUPAC Name: 3-(3,4-dichlorophenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 3-(3,4-dichlorophenyl)-2-[(7H-purin-6-ylthio)methyl]quinazolin-4-one Formula: C20H12Cl2N6OS MolecularWeight: 455.31988

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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(=C(C=C5)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H12Cl2N6OS/c21-13-6-5-11(7-14(13)22)28-16(27-15-4-2-1-3-12(15)20(28)29)8-30-19-17-18(24-9-23-17)25-10-26-19/h1-7,9-10H,8H2,(H,23,24,25,26)