ethyl 2-[[5-cyano-6-(4-dimethylaminophenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-cyano-6-(4-dimethylaminophenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-cyano-6-(4-dimethylaminophenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[5-cyano-6-(4-dimethylaminophenyl)-4-oxo-1H-pyrimidin-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-cyano-6-(4-dimethylaminophenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyano-6-(4-dimethylaminophenyl)-4-keto-1H-pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=O)C(=C(N1)C2=CC=C(C=C2)N(C)C)C#N

Isomeric SMILES

CCOC(=O)CSC1=NC(=O)C(=C(N1)C2=CC=C(C=C2)N(C)C)C#N

InChI

InChI=1S/C17H18N4O3S/c1-4-24-14(22)10-25-17-19-15(13(9-18)16(23)20-17)11-5-7-12(8-6-11)21(2)3/h5-8H,4,10H2,1-3H3,(H,19,20,23)