ethyl 4,5-dimethyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-[4-(2-pyrimidyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H25N5O3S MolecularWeight: 403.4985

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C19H25N5O3S/c1-4-27-18(26)16-13(2)14(3)28-17(16)22-15(25)12-23-8-10-24(11-9-23)19-20-6-5-7-21-19/h5-7H,4,8-12H2,1-3H3,(H,22,25)