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

Systemtic Name: 7-(4-ethoxyphenyl)-1,3-dimethyl-5-(pyridin-3-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-(4-ethoxyphenyl)-1,3-dimethyl-5-(3-pyridylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-(4-ethoxyphenyl)-1,3-dimethyl-5-(3-pyridinylmethylthio)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-(4-ethoxyphenyl)-1,3-dimethyl-5-(pyridin-3-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-7-p-phenetyl-5-(3-pyridylmethylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=C(C(=N2)SCC4=CN=CC=C4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=C(C(=N2)SCC4=CN=CC=C4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C22H21N5O3S/c1-4-30-16-9-7-15(8-10-16)18-24-19-17(21(28)27(3)22(29)26(19)2)20(25-18)31-13-14-6-5-11-23-12-14/h5-12H,4,13H2,1-3H3