methyl 2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-[4-(2-pyrimidyl)piperazino]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C19H23N5O3S MolecularWeight: 401.48262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=O)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=O)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H23N5O3S/c1-27-18(26)16-13-4-2-5-14(13)28-17(16)22-15(25)12-23-8-10-24(11-9-23)19-20-6-3-7-21-19/h3,6-7H,2,4-5,8-12H2,1H3,(H,22,25)