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

Systemtic Name: ethyl 4-cyclopropyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-cyclopropyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-cyclopropyl-2-[[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyclopropyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-cyclopropyl-2-[[2-[4-(2-pyrimidyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H25N5O3S/c1-2-28-19(27)17-15(14-4-5-14)13-29-18(17)23-16(26)12-24-8-10-25(11-9-24)20-21-6-3-7-22-20/h3,6-7,13-14H,2,4-5,8-12H2,1H3,(H,23,26)