1-[5-azanyl-6-[(4-butylphenyl)amino]pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[5-azanyl-6-[(4-butylphenyl)amino]pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[5-amino-6-(4-butylanilino)-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]isonipecotic acid Formula: C20H27N5O2 MolecularWeight: 369.46068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2N)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2N)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C20H27N5O2/c1-2-3-4-14-5-7-16(8-6-14)24-18-17(21)19(23-13-22-18)25-11-9-15(10-12-25)20(26)27/h5-8,13,15H,2-4,9-12,21H2,1H3,(H,26,27)(H,22,23,24)