N-(2,5-dimethoxyphenyl)-2-(2-methylsulfanyl-5-oxidanylidene-pyrimido[4,5-d]pyrimidin-6-yl)ethanamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-2-(2-methylsulfanyl-5-oxidanylidene-pyrimido[4,5-d]pyrimidin-6-yl)ethanamide Openeye Name: N-(2,5-dimethoxyphenyl)-2-(2-methylsulfanyl-5-oxo-pyrimido[4,5-d]pyrimidin-6-yl)acetamide CAS Name: N-(2,5-dimethoxyphenyl)-2-[2-(methylthio)-5-oxo-6-pyrimido[4,5-d]pyrimidinyl]acetamide IUPAC Name: N-(2,5-dimethoxyphenyl)-2-(2-methylsulfanyl-5-oxopyrimido[4,5-d]pyrimidin-6-yl)acetamide Traditional Name: N-(2,5-dimethoxyphenyl)-2-[5-keto-2-(methylthio)pyrimido[4,5-d]pyrimidin-6-yl]acetamide Formula: C17H17N5O4S MolecularWeight: 387.41298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)CN2C=NC3=NC(=NC=C3C2=O)SC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)CN2C=NC3=NC(=NC=C3C2=O)SC

InChI

InChI=1S/C17H17N5O4S/c1-25-10-4-5-13(26-2)12(6-10)20-14(23)8-22-9-19-15-11(16(22)24)7-18-17(21-15)27-3/h4-7,9H,8H2,1-3H3,(H,20,23)