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

Systemtic Name: 3-(2-chlorophenyl)-6-oxidanyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 3-(2-chlorophenyl)-6-hydroxy-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one CAS Name: 3-(2-chlorophenyl)-6-hydroxy-2-[(7H-purin-6-ylthio)methyl]-4-quinazolinone IUPAC Name: 3-(2-chlorophenyl)-6-hydroxy-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 3-(2-chlorophenyl)-6-hydroxy-2-[(7H-purin-6-ylthio)methyl]quinazolin-4-one Formula: C20H13ClN6O2S MolecularWeight: 436.87422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C(=NC3=C(C2=O)C=C(C=C3)O)CSC4=NC=NC5=C4NC=N5)Cl

Isomeric SMILES

C1=CC=C(C(=C1)N2C(=NC3=C(C2=O)C=C(C=C3)O)CSC4=NC=NC5=C4NC=N5)Cl

InChI

InChI=1S/C20H13ClN6O2S/c21-13-3-1-2-4-15(13)27-16(26-14-6-5-11(28)7-12(14)20(27)29)8-30-19-17-18(23-9-22-17)24-10-25-19/h1-7,9-10,28H,8H2,(H,22,23,24,25)