1-[2-oxidanyl-3-[[2-[(phenylmethyl)amino]pyrimidin-4-yl]-piperidin-4-yl-amino]propyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-oxidanyl-3-[[2-[(phenylmethyl)amino]pyrimidin-4-yl]-piperidin-4-yl-amino]propyl]piperidine-4-carboxylic acid Openeye Name: 1-[3-[[2-(benzylamino)pyrimidin-4-yl]-(4-piperidyl)amino]-2-hydroxy-propyl]piperidine-4-carboxylic acid CAS Name: 1-[2-hydroxy-3-[[2-[(phenylmethyl)amino]-4-pyrimidinyl]-(4-piperidinyl)amino]propyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-[[2-(benzylamino)pyrimidin-4-yl]-piperidin-4-ylamino]-2-hydroxypropyl]piperidine-4-carboxylic acid Traditional Name: 1-[3-[[2-(benzylamino)pyrimidin-4-yl]-(4-piperidyl)amino]-2-hydroxy-propyl]isonipecotic acid Formula: C25H36N6O3 MolecularWeight: 468.59174

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N(CC(CN2CCC(CC2)C(=O)O)O)C3=NC(=NC=C3)NCC4=CC=CC=C4

Isomeric SMILES

C1CNCCC1N(CC(CN2CCC(CC2)C(=O)O)O)C3=NC(=NC=C3)NCC4=CC=CC=C4

InChI

InChI=1S/C25H36N6O3/c32-22(17-30-14-9-20(10-15-30)24(33)34)18-31(21-6-11-26-12-7-21)23-8-13-27-25(29-23)28-16-19-4-2-1-3-5-19/h1-5,8,13,20-22,26,32H,6-7,9-12,14-18H2,(H,33,34)(H,27,28,29)