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

Systemtic Name: 1-[5-azanyl-6-[methyl-(phenylmethyl)amino]pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[5-amino-6-[methyl-(phenylmethyl)amino]-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]isonipecotic acid Formula: C18H23N5O2 MolecularWeight: 341.40752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=NC(=C2N)N3CCC(CC3)C(=O)O

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=NC(=C2N)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H23N5O2/c1-22(11-13-5-3-2-4-6-13)16-15(19)17(21-12-20-16)23-9-7-14(8-10-23)18(24)25/h2-6,12,14H,7-11,19H2,1H3,(H,24,25)