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

Systemtic Name: ethyl 4,5-dimethyl-2-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-5-[4-(2-pyrimidinyl)-1-piperazinyl]pentyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[5-[4-(2-pyrimidyl)piperazino]pentanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C22H31N5O3S MolecularWeight: 445.57824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCCCN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCCCN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C22H31N5O3S/c1-4-30-21(29)19-16(2)17(3)31-20(19)25-18(28)8-5-6-11-26-12-14-27(15-13-26)22-23-9-7-10-24-22/h7,9-10H,4-6,8,11-15H2,1-3H3,(H,25,28)