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

Systemtic Name: 3-(2-chlorophenyl)-7-nitro-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 3-(2-chlorophenyl)-7-nitro-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one CAS Name: 3-(2-chlorophenyl)-7-nitro-2-[(7H-purin-6-ylthio)methyl]-4-quinazolinone IUPAC Name: 3-(2-chlorophenyl)-7-nitro-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 3-(2-chlorophenyl)-7-nitro-2-[(7H-purin-6-ylthio)methyl]quinazolin-4-one Formula: C20H12ClN7O3S MolecularWeight: 465.87238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C(=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-])CSC4=NC=NC5=C4NC=N5)Cl

Isomeric SMILES

C1=CC=C(C(=C1)N2C(=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-])CSC4=NC=NC5=C4NC=N5)Cl

InChI

InChI=1S/C20H12ClN7O3S/c21-13-3-1-2-4-15(13)27-16(8-32-19-17-18(23-9-22-17)24-10-25-19)26-14-7-11(28(30)31)5-6-12(14)20(27)29/h1-7,9-10H,8H2,(H,22,23,24,25)