methyl 5-aminocarbonyl-4-methyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-aminocarbonyl-4-methyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-carbamoyl-4-methyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-carbamoyl-4-methyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[[2-[4-(2-pyrimidyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C18H22N6O4S MolecularWeight: 418.47008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)C3=NC=CC=N3)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)C3=NC=CC=N3)C(=O)N

InChI

InChI=1S/C18H22N6O4S/c1-11-13(17(27)28-2)16(29-14(11)15(19)26)22-12(25)10-23-6-8-24(9-7-23)18-20-4-3-5-21-18/h3-5H,6-10H2,1-2H3,(H2,19,26)(H,22,25)