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

Systemtic Name: 1,3-dimethyl-7-(4-methylphenyl)-5-(pyridin-3-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-7-(p-tolyl)-5-(3-pyridylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-7-(4-methylphenyl)-5-(3-pyridinylmethylthio)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-7-(4-methylphenyl)-5-(pyridin-3-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-7-(p-tolyl)-5-(3-pyridylmethylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C(=N2)SCC4=CN=CC=C4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C(=N2)SCC4=CN=CC=C4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H19N5O2S/c1-13-6-8-15(9-7-13)17-23-18-16(20(27)26(3)21(28)25(18)2)19(24-17)29-12-14-5-4-10-22-11-14/h4-11H,12H2,1-3H3