2-[(6-azanyl-7H-purin-8-yl)sulfanylmethyl]-3-(2-chlorophenyl)quinazolin-4-one

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanylmethyl]-3-(2-chlorophenyl)quinazolin-4-one Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanylmethyl]-3-(2-chlorophenyl)quinazolin-4-one CAS Name: 2-[[(6-amino-7H-purin-8-yl)thio]methyl]-3-(2-chlorophenyl)-4-quinazolinone IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanylmethyl]-3-(2-chlorophenyl)quinazolin-4-one Traditional Name: 2-[[(6-amino-7H-purin-8-yl)thio]methyl]-3-(2-chlorophenyl)quinazolin-4-one Formula: C20H14ClN7OS MolecularWeight: 435.88946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC4=C(N3)C(=NC=N4)N)C5=CC=CC=C5Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC4=C(N3)C(=NC=N4)N)C5=CC=CC=C5Cl

InChI

InChI=1S/C20H14ClN7OS/c21-12-6-2-4-8-14(12)28-15(25-13-7-3-1-5-11(13)19(28)29)9-30-20-26-16-17(22)23-10-24-18(16)27-20/h1-8,10H,9H2,(H3,22,23,24,26,27)