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

Systemtic Name: methyl 2-[2-[2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC(=O)C=C(N2)CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC(=O)C=C(N2)CC(=O)OC

InChI

InChI=1S/C19H20N4O4S/c1-13-4-6-15(7-5-13)23(9-3-8-20)17(25)12-28-19-21-14(10-16(24)22-19)11-18(26)27-2/h4-7,10H,3,9,11-12H2,1-2H3,(H,21,22,24)