2-[[5-cyano-6-(3-methoxy-4-propoxy-phenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[5-cyano-6-(3-methoxy-4-propoxy-phenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-cyano-6-(3-methoxy-4-propoxy-phenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide CAS Name: 2-[[5-cyano-6-(3-methoxy-4-propoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: 2-[[5-cyano-6-(3-methoxy-4-propoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: 2-[[5-cyano-4-keto-6-(3-methoxy-4-propoxy-phenyl)-1H-pyrimidin-2-yl]thio]acetamide Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)N)C#N)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)N)C#N)OC

InChI

InChI=1S/C17H18N4O4S/c1-3-6-25-12-5-4-10(7-13(12)24-2)15-11(8-18)16(23)21-17(20-15)26-9-14(19)22/h4-5,7H,3,6,9H2,1-2H3,(H2,19,22)(H,20,21,23)