methyl 2-[2-[2-[2-cyanoethyl-(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-[2-cyanoethyl-(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-[N-(2-cyanoethyl)-2-methoxy-anilino]-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[2-[N-(2-cyanoethyl)-2-methoxyanilino]-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-[N-(2-cyanoethyl)-2-methoxyanilino]-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[2-[N-(2-cyanoethyl)-2-methoxy-anilino]-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CCC#N)C(=O)CSC2=NC(=O)C=C(N2)CC(=O)OC

Isomeric SMILES

COC1=CC=CC=C1N(CCC#N)C(=O)CSC2=NC(=O)C=C(N2)CC(=O)OC

InChI

InChI=1S/C19H20N4O5S/c1-27-15-7-4-3-6-14(15)23(9-5-8-20)17(25)12-29-19-21-13(10-16(24)22-19)11-18(26)28-2/h3-4,6-7,10H,5,9,11-12H2,1-2H3,(H,21,22,24)