1-[2-[(4-methylphenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[(4-methylphenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(p-tolylmethylamino)pyrido[4,3-d]pyrimidin-5-yl]piperidine-3-carboxylic acid CAS Name: 1-[2-[(4-methylphenyl)methylamino]-5-pyrido[4,3-d]pyrimidinyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[(4-methylphenyl)methylamino]pyrido[4,3-d]pyrimidin-5-yl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[(4-methylbenzyl)amino]pyrido[4,3-d]pyrimidin-5-yl]nipecotic acid Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC=C3C(=N2)C=CN=C3N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC=C3C(=N2)C=CN=C3N4CCCC(C4)C(=O)O

InChI

InChI=1S/C21H23N5O2/c1-14-4-6-15(7-5-14)11-23-21-24-12-17-18(25-21)8-9-22-19(17)26-10-2-3-16(13-26)20(27)28/h4-9,12,16H,2-3,10-11,13H2,1H3,(H,27,28)(H,23,24,25)