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

Systemtic Name: ethyl 4,5-dimethyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[4-[4-(2-pyrimidyl)piperazino]butanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C21H29N5O3S MolecularWeight: 431.55166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCCN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCCN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H29N5O3S/c1-4-29-20(28)18-15(2)16(3)30-19(18)24-17(27)7-5-10-25-11-13-26(14-12-25)21-22-8-6-9-23-21/h6,8-9H,4-5,7,10-14H2,1-3H3,(H,24,27)