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

Systemtic Name: ethyl 4-[1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-[4-(2,5-dimethyl-3-thienyl)pyrimidin-2-yl]-5-methyl-pyrazole-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-[4-(2,5-dimethyl-3-thiophenyl)-2-pyrimidinyl]-5-methyl-4-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-methylpyrazole-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-[4-(2,5-dimethyl-3-thienyl)pyrimidin-2-yl]-5-methyl-pyrazole-4-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H26N6O3S MolecularWeight: 454.54524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=C(SC(=C4)C)C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=C(SC(=C4)C)C)C

InChI

InChI=1S/C22H26N6O3S/c1-5-31-22(30)27-10-8-26(9-11-27)20(29)18-13-24-28(15(18)3)21-23-7-6-19(25-21)17-12-14(2)32-16(17)4/h6-7,12-13H,5,8-11H2,1-4H3