ethyl 1-[3-[3,5-dimethyl-1-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)pyrazol-4-yl]propanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-[3,5-dimethyl-1-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)pyrazol-4-yl]propanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-[3,5-dimethyl-1-(6-methyl-4-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanoyl]piperidine-3-carboxylate CAS Name: 1-[3-[3,5-dimethyl-1-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-4-pyrazolyl]-1-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[3,5-dimethyl-1-(6-methyl-4-oxo-1H-pyrimidin-2-yl)pyrazol-4-yl]propanoyl]piperidine-3-carboxylate Traditional Name: 1-[3-[1-(4-keto-6-methyl-1H-pyrimidin-2-yl)-3,5-dimethyl-pyrazol-4-yl]propanoyl]nipecotic acid ethyl ester Formula: C21H29N5O4 MolecularWeight: 415.48606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CCC2=C(N(N=C2C)C3=NC(=O)C=C(N3)C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CCC2=C(N(N=C2C)C3=NC(=O)C=C(N3)C)C

InChI

InChI=1S/C21H29N5O4/c1-5-30-20(29)16-7-6-10-25(12-16)19(28)9-8-17-14(3)24-26(15(17)4)21-22-13(2)11-18(27)23-21/h11,16H,5-10,12H2,1-4H3,(H,22,23,27)