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

Systemtic Name: 2-[[5-cyano-6-(3-methoxy-4-propoxy-phenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-cyclopentyl-ethanamide Openeye Name: 2-[[5-cyano-6-(3-methoxy-4-propoxy-phenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-cyclopentyl-acetamide CAS Name: 2-[[5-cyano-6-(3-methoxy-4-propoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]-N-cyclopentylacetamide IUPAC Name: 2-[[5-cyano-6-(3-methoxy-4-propoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-cyclopentylacetamide Traditional Name: 2-[[5-cyano-4-keto-6-(3-methoxy-4-propoxy-phenyl)-1H-pyrimidin-2-yl]thio]-N-cyclopentyl-acetamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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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)NC3CCCC3)C#N)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3CCCC3)C#N)OC

InChI

InChI=1S/C22H26N4O4S/c1-3-10-30-17-9-8-14(11-18(17)29-2)20-16(12-23)21(28)26-22(25-20)31-13-19(27)24-15-6-4-5-7-15/h8-9,11,15H,3-7,10,13H2,1-2H3,(H,24,27)(H,25,26,28)