N-(3-ethylphenyl)-2-(2-methylsulfanyl-5-oxidanylidene-pyrimido[4,5-d]pyrimidin-6-yl)ethanamide

Systemtic Name: N-(3-ethylphenyl)-2-(2-methylsulfanyl-5-oxidanylidene-pyrimido[4,5-d]pyrimidin-6-yl)ethanamide Openeye Name: N-(3-ethylphenyl)-2-(2-methylsulfanyl-5-oxo-pyrimido[4,5-d]pyrimidin-6-yl)acetamide CAS Name: N-(3-ethylphenyl)-2-[2-(methylthio)-5-oxo-6-pyrimido[4,5-d]pyrimidinyl]acetamide IUPAC Name: N-(3-ethylphenyl)-2-(2-methylsulfanyl-5-oxopyrimido[4,5-d]pyrimidin-6-yl)acetamide Traditional Name: N-(3-ethylphenyl)-2-[5-keto-2-(methylthio)pyrimido[4,5-d]pyrimidin-6-yl]acetamide Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)CN2C=NC3=NC(=NC=C3C2=O)SC

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)CN2C=NC3=NC(=NC=C3C2=O)SC

InChI

InChI=1S/C17H17N5O2S/c1-3-11-5-4-6-12(7-11)20-14(23)9-22-10-19-15-13(16(22)24)8-18-17(21-15)25-2/h4-8,10H,3,9H2,1-2H3,(H,20,23)