4-[[6-(4-cyclohexylpiperazin-1-yl)pyrimidin-4-yl]carbamoyl]-3,5-dimethyl-piperidine-1-carboxylic acid

Systemtic Name: 4-[[6-(4-cyclohexylpiperazin-1-yl)pyrimidin-4-yl]carbamoyl]-3,5-dimethyl-piperidine-1-carboxylic acid Openeye Name: 4-[[6-(4-cyclohexylpiperazin-1-yl)pyrimidin-4-yl]carbamoyl]-3,5-dimethyl-piperidine-1-carboxylic acid CAS Name: 4-[[[6-(4-cyclohexyl-1-piperazinyl)-4-pyrimidinyl]amino]-oxomethyl]-3,5-dimethyl-1-piperidinecarboxylic acid IUPAC Name: 4-[[6-(4-cyclohexylpiperazin-1-yl)pyrimidin-4-yl]carbamoyl]-3,5-dimethylpiperidine-1-carboxylic acid Traditional Name: 4-[[6-(4-cyclohexylpiperazino)pyrimidin-4-yl]carbamoyl]-3,5-dimethyl-piperidine-1-carboxylic acid Formula: C23H36N6O3 MolecularWeight: 444.57034

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(C1C(=O)NC2=NC=NC(=C2)N3CCN(CC3)C4CCCCC4)C)C(=O)O

Isomeric SMILES

CC1CN(CC(C1C(=O)NC2=NC=NC(=C2)N3CCN(CC3)C4CCCCC4)C)C(=O)O

InChI

InChI=1S/C23H36N6O3/c1-16-13-29(23(31)32)14-17(2)21(16)22(30)26-19-12-20(25-15-24-19)28-10-8-27(9-11-28)18-6-4-3-5-7-18/h12,15-18,21H,3-11,13-14H2,1-2H3,(H,31,32)(H,24,25,26,30)