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

Systemtic Name: [4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl 1-ethanoylpiperidine-4-carboxylate Openeye Name: [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 1-acetylpiperidine-4-carboxylate CAS Name: 1-acetyl-4-piperidinecarboxylic acid [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 1-acetylpiperidine-4-carboxylate Traditional Name: 1-acetylisonipecotic acid [4-amino-6-(2-ethylanilino)-s-triazin-2-yl]methyl ester Formula: C20H26N6O3 MolecularWeight: 398.45884

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3CCN(CC3)C(=O)C

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3CCN(CC3)C(=O)C

InChI

InChI=1S/C20H26N6O3/c1-3-14-6-4-5-7-16(14)22-20-24-17(23-19(21)25-20)12-29-18(28)15-8-10-26(11-9-15)13(2)27/h4-7,15H,3,8-12H2,1-2H3,(H3,21,22,23,24,25)