(1R,6S)-3,4-dimethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6S)-3,4-dimethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-3,4-dimethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-3,4-dimethyl-6-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-3,4-dimethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-3,4-dimethyl-6-[4-(2-pyrimidyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid Formula: C18H24N4O3 MolecularWeight: 344.40816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)C(=O)O)C

Isomeric SMILES

CC1=C(C[C@H]([C@H](C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)C(=O)O)C

InChI

InChI=1S/C18H24N4O3/c1-12-10-14(15(17(24)25)11-13(12)2)16(23)21-6-8-22(9-7-21)18-19-4-3-5-20-18/h3-5,14-15H,6-11H2,1-2H3,(H,24,25)/t14-,15+/m0/s1