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

Systemtic Name: 2-[[5-cyano-6-(3-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-cyano-6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide CAS Name: 2-[[5-cyano-6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: 2-[[5-cyano-6-(3-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: 2-[[5-cyano-4-keto-6-(3-methoxyphenyl)-1H-pyrimidin-2-yl]thio]acetamide Formula: C14H12N4O3S MolecularWeight: 316.33508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C(C(=O)N=C(N2)SCC(=O)N)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C2=C(C(=O)N=C(N2)SCC(=O)N)C#N

InChI

InChI=1S/C14H12N4O3S/c1-21-9-4-2-3-8(5-9)12-10(6-15)13(20)18-14(17-12)22-7-11(16)19/h2-5H,7H2,1H3,(H2,16,19)(H,17,18,20)