[2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate

Systemtic Name: [2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate Openeye Name: [2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxo-ethyl] 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid [2-[(4,6-dimethyl-2-pyrimidinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate Traditional Name: 1-(2-thenoyl)pyrrolidine-2-carboxylic acid [2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-keto-ethyl] ester Formula: C18H20N4O4S MolecularWeight: 388.4408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)COC(=O)C2CCCN2C(=O)C3=CC=CS3)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)COC(=O)C2CCCN2C(=O)C3=CC=CS3)C

InChI

InChI=1S/C18H20N4O4S/c1-11-9-12(2)20-18(19-11)21-15(23)10-26-17(25)13-5-3-7-22(13)16(24)14-6-4-8-27-14/h4,6,8-9,13H,3,5,7,10H2,1-2H3,(H,19,20,21,23)