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

Systemtic Name: ethyl 4-azanyl-2-[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H19N5O3S MolecularWeight: 385.44016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N(CCC#N)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N(CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C18H19N5O3S/c1-2-26-17(25)14-11-21-18(22-16(14)20)27-12-15(24)23(10-6-9-19)13-7-4-3-5-8-13/h3-5,7-8,11H,2,6,10,12H2,1H3,(H2,20,21,22)