ethyl 4-[[1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[1-[4-(2,5-dimethyl-3-thienyl)pyrimidin-2-yl]-5-methyl-pyrazole-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[1-[4-(2,5-dimethyl-3-thiophenyl)-2-pyrimidinyl]-5-methyl-4-pyrazolyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-methylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[1-[4-(2,5-dimethyl-3-thienyl)pyrimidin-2-yl]-5-methyl-pyrazole-4-carbonyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C23H28N6O3S MolecularWeight: 468.57182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=C(SC(=C4)C)C)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=C(SC(=C4)C)C)C

InChI

InChI=1S/C23H28N6O3S/c1-5-32-23(31)28-10-7-17(8-11-28)26-21(30)19-13-25-29(15(19)3)22-24-9-6-20(27-22)18-12-14(2)33-16(18)4/h6,9,12-13,17H,5,7-8,10-11H2,1-4H3,(H,26,30)