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

Systemtic Name: 6-chloranyl-3-(2-chlorophenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 6-chloro-3-(2-chlorophenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one CAS Name: 6-chloro-3-(2-chlorophenyl)-2-[(7H-purin-6-ylthio)methyl]-4-quinazolinone IUPAC Name: 6-chloro-3-(2-chlorophenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 6-chloro-3-(2-chlorophenyl)-2-[(7H-purin-6-ylthio)methyl]quinazolin-4-one Formula: C20H12Cl2N6OS MolecularWeight: 455.31988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H12Cl2N6OS/c21-11-5-6-14-12(7-11)20(29)28(15-4-2-1-3-13(15)22)16(27-14)8-30-19-17-18(24-9-23-17)25-10-26-19/h1-7,9-10H,8H2,(H,23,24,25,26)