ethyl 4-azanyl-2-[2-[2-cyanoethyl-(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[2-cyanoethyl-(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C20H23N5O4S MolecularWeight: 429.49272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC=C(C(=N2)N)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC=C(C(=N2)N)C(=O)OCC

InChI

InChI=1S/C20H23N5O4S/c1-3-28-15-8-6-14(7-9-15)25(11-5-10-21)17(26)13-30-20-23-12-16(18(22)24-20)19(27)29-4-2/h6-9,12H,3-5,11,13H2,1-2H3,(H2,22,23,24)