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

Systemtic Name: 7-(2-methoxyphenyl)-1,3-dimethyl-5-(pyridin-3-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-(2-methoxyphenyl)-1,3-dimethyl-5-(3-pyridylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-(2-methoxyphenyl)-1,3-dimethyl-5-(3-pyridinylmethylthio)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-(2-methoxyphenyl)-1,3-dimethyl-5-(pyridin-3-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-(2-methoxyphenyl)-1,3-dimethyl-5-(3-pyridylmethylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3=CC=CC=C3OC)SCC4=CN=CC=C4)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3=CC=CC=C3OC)SCC4=CN=CC=C4)C(=O)N(C1=O)C

InChI

InChI=1S/C21H19N5O3S/c1-25-18-16(20(27)26(2)21(25)28)19(30-12-13-7-6-10-22-11-13)24-17(23-18)14-8-4-5-9-15(14)29-3/h4-11H,12H2,1-3H3