1,3-dimethyl-7-(2-methylphenyl)-5-(phenylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-7-(2-methylphenyl)-5-(phenylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-benzylsulfanyl-1,3-dimethyl-7-(o-tolyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-7-(2-methylphenyl)-5-(phenylmethylthio)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-benzylsulfanyl-1,3-dimethyl-7-(2-methylphenyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-(benzylthio)-1,3-dimethyl-7-(o-tolyl)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=C(C(=N2)SCC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=C(C(=N2)SCC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C22H20N4O2S/c1-14-9-7-8-12-16(14)18-23-19-17(21(27)26(3)22(28)25(19)2)20(24-18)29-13-15-10-5-4-6-11-15/h4-12H,13H2,1-3H3