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

Systemtic Name: 3-(2-chlorophenyl)-2-[7H-purin-6-yl(sulfanyl)methyl]benzo[g]quinazolin-4-one Openeye Name: 3-(2-chlorophenyl)-2-[7H-purin-6-yl(sulfanyl)methyl]benzo[g]quinazolin-4-one CAS Name: 3-(2-chlorophenyl)-2-[mercapto(7H-purin-6-yl)methyl]-4-benzo[g]quinazolinone IUPAC Name: 3-(2-chlorophenyl)-2-[7H-purin-6-yl(sulfanyl)methyl]benzo[g]quinazolin-4-one Traditional Name: 3-(2-chlorophenyl)-2-[mercapto(7H-purin-6-yl)methyl]benzo[g]quinazolin-4-one Formula: C24H15ClN6OS MolecularWeight: 470.9335

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C3C(=CC2=C1)C(=O)N(C(=N3)C(C4=C5C(=NC=N4)N=CN5)S)C6=CC=CC=C6Cl

Isomeric SMILES

C1=CC=C2C=C3C(=CC2=C1)C(=O)N(C(=N3)C(C4=C5C(=NC=N4)N=CN5)S)C6=CC=CC=C6Cl

InChI

InChI=1S/C24H15ClN6OS/c25-16-7-3-4-8-18(16)31-23(21(33)19-20-22(28-11-26-19)29-12-27-20)30-17-10-14-6-2-1-5-13(14)9-15(17)24(31)32/h1-12,21,33H,(H,26,27,28,29)