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

Systemtic Name: 1-[2-[(phenylmethyl)amino]pyrido[4,3-d]pyrimidin-5-yl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(benzylamino)pyrido[4,3-d]pyrimidin-5-yl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(phenylmethyl)amino]-5-pyrido[4,3-d]pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(benzylamino)pyrido[4,3-d]pyrimidin-5-yl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(benzylamino)pyrido[4,3-d]pyrimidin-5-yl]isonipecotic acid Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=NC=CC3=NC(=NC=C32)NCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=NC=CC3=NC(=NC=C32)NCC4=CC=CC=C4

InChI

InChI=1S/C20H21N5O2/c26-19(27)15-7-10-25(11-8-15)18-16-13-23-20(24-17(16)6-9-21-18)22-12-14-4-2-1-3-5-14/h1-6,9,13,15H,7-8,10-12H2,(H,26,27)(H,22,23,24)