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

Systemtic Name: 1-[5-azanyl-6-[ethyl-(3-methylphenyl)amino]pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[5-amino-6-(N-ethyl-3-methyl-anilino)pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[5-amino-6-(N-ethyl-3-methylanilino)-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[5-amino-6-(N-ethyl-3-methylanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[5-amino-6-(N-ethyl-3-methyl-anilino)pyrimidin-4-yl]isonipecotic acid Formula: C19H25N5O2 MolecularWeight: 355.4341

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2N)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2N)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C19H25N5O2/c1-3-24(15-6-4-5-13(2)11-15)18-16(20)17(21-12-22-18)23-9-7-14(8-10-23)19(25)26/h4-6,11-12,14H,3,7-10,20H2,1-2H3,(H,25,26)