6-(4-chlorophenyl)-2-(phenylmethylsulfanyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione

Systemtic Name: 6-(4-chlorophenyl)-2-(phenylmethylsulfanyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione Openeye Name: 2-benzylsulfanyl-6-(4-chlorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione CAS Name: 6-(4-chlorophenyl)-2-(phenylmethylthio)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione IUPAC Name: 2-benzylsulfanyl-6-(4-chlorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione Traditional Name: 2-(benzylthio)-6-(4-chlorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-quinone Formula: C19H13ClN4O2S MolecularWeight: 396.85012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=C3C(=N2)NC(=O)N(C3=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=C3C(=N2)NC(=O)N(C3=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H13ClN4O2S/c20-13-6-8-14(9-7-13)24-17(25)15-10-21-18(22-16(15)23-19(24)26)27-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,21,22,23,26)