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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=NC=NC(=C2N)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=NC=NC(=C2N)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H23N5O2/c1-2-12-3-5-14(6-4-12)22-16-15(19)17(21-11-20-16)23-9-7-13(8-10-23)18(24)25/h3-6,11,13H,2,7-10,19H2,1H3,(H,24,25)(H,20,21,22)