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

Systemtic Name: ethyl 4,5-dimethyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[3-[4-(2-pyrimidyl)piperazino]propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C20H27N5O3S MolecularWeight: 417.52508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C20H27N5O3S/c1-4-28-19(27)17-14(2)15(3)29-18(17)23-16(26)6-9-24-10-12-25(13-11-24)20-21-7-5-8-22-20/h5,7-8H,4,6,9-13H2,1-3H3,(H,23,26)