1-[[4-azanyl-6-[(3-methoxyphenyl)amino]-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[4-azanyl-6-[(3-methoxyphenyl)amino]-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[4-amino-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-amino-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[4-amino-6-(3-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[[4-amino-6-(m-anisidino)-s-triazin-2-yl]methyl]isonipecotic acid Formula: C17H22N6O3 MolecularWeight: 358.39498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC(=NC(=N2)N)CN3CCC(CC3)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC(=NC(=N2)N)CN3CCC(CC3)C(=O)O

InChI

InChI=1S/C17H22N6O3/c1-26-13-4-2-3-12(9-13)19-17-21-14(20-16(18)22-17)10-23-7-5-11(6-8-23)15(24)25/h2-4,9,11H,5-8,10H2,1H3,(H,24,25)(H3,18,19,20,21,22)