1-[5-azanyl-6-[(3-methoxyphenyl)amino]pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[5-azanyl-6-[(3-methoxyphenyl)amino]pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[5-amino-6-(3-methoxyanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[5-amino-6-(3-methoxyanilino)-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[5-amino-6-(3-methoxyanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[5-amino-6-(m-anisidino)pyrimidin-4-yl]isonipecotic acid Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC=NC(=C2N)N3CCC(CC3)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC=NC(=C2N)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C17H21N5O3/c1-25-13-4-2-3-12(9-13)21-15-14(18)16(20-10-19-15)22-7-5-11(6-8-22)17(23)24/h2-4,9-11H,5-8,18H2,1H3,(H,23,24)(H,19,20,21)