[4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 1-ethanoylpiperidine-4-carboxylate

Systemtic Name: [4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 1-ethanoylpiperidine-4-carboxylate Openeye Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 1-acetylpiperidine-4-carboxylate CAS Name: 1-acetyl-4-piperidinecarboxylic acid [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 1-acetylpiperidine-4-carboxylate Traditional Name: 1-acetylisonipecotic acid [4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl ester Formula: C19H24N6O3 MolecularWeight: 384.43226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3CCN(CC3)C(=O)C

InChI

InChI=1S/C19H24N6O3/c1-12-5-3-4-6-15(12)21-19-23-16(22-18(20)24-19)11-28-17(27)14-7-9-25(10-8-14)13(2)26/h3-6,14H,7-11H2,1-2H3,(H3,20,21,22,23,24)