N-(2-cyanophenyl)-2-(1-cyclopentyl-6-oxidanyl-4-oxidanylidene-pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanophenyl)-2-(1-cyclopentyl-6-oxidanyl-4-oxidanylidene-pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanophenyl)-2-(1-cyclopentyl-6-hydroxy-4-oxo-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyanophenyl)-2-[(1-cyclopentyl-6-hydroxy-4-oxo-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(2-cyanophenyl)-2-(1-cyclopentyl-6-hydroxy-4-oxopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanophenyl)-2-[(1-cyclopentyl-6-hydroxy-4-keto-pyrimidin-2-yl)thio]acetamide Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=CC(=O)N=C2SCC(=O)NC3=CC=CC=C3C#N)O

Isomeric SMILES

C1CCC(C1)N2C(=CC(=O)N=C2SCC(=O)NC3=CC=CC=C3C#N)O

InChI

InChI=1S/C18H18N4O3S/c19-10-12-5-1-4-8-14(12)20-16(24)11-26-18-21-15(23)9-17(25)22(18)13-6-2-3-7-13/h1,4-5,8-9,13,25H,2-3,6-7,11H2,(H,20,24)