3-(2-chlorophenyl)-2-[7H-purin-6-yl(sulfanyl)methyl]quinazolin-4-one

Systemtic Name: 3-(2-chlorophenyl)-2-[7H-purin-6-yl(sulfanyl)methyl]quinazolin-4-one Openeye Name: 3-(2-chlorophenyl)-2-[7H-purin-6-yl(sulfanyl)methyl]quinazolin-4-one CAS Name: 3-(2-chlorophenyl)-2-[mercapto(7H-purin-6-yl)methyl]-4-quinazolinone IUPAC Name: 3-(2-chlorophenyl)-2-[7H-purin-6-yl(sulfanyl)methyl]quinazolin-4-one Traditional Name: 3-(2-chlorophenyl)-2-[mercapto(7H-purin-6-yl)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)C(C3=C4C(=NC=N3)N=CN4)S)C5=CC=CC=C5Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)C(C3=C4C(=NC=N3)N=CN4)S)C5=CC=CC=C5Cl

InChI

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