prop-2-ynyl 4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-1,3-thiazol-2-yl]piperidine-1-carboxylate

Systemtic Name: prop-2-ynyl 4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: prop-2-ynyl 4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-2-thiazolyl]-1-piperidinecarboxylic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[4-(2-pyrimidyl)piperazine-1-carbonyl]thiazol-2-yl]piperidine-1-carboxylic acid propargyl ester Formula: C21H24N6O3S MolecularWeight: 440.51866

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C#CCOC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H24N6O3S/c1-2-14-30-21(29)27-8-4-16(5-9-27)18-24-17(15-31-18)19(28)25-10-12-26(13-11-25)20-22-6-3-7-23-20/h1,3,6-7,15-16H,4-5,8-14H2