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

Systemtic Name: [4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 1-propanoylpiperidine-3-carboxylate Openeye Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 1-propanoylpiperidine-3-carboxylate CAS Name: 1-(1-oxopropyl)-3-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-propanoylpiperidine-3-carboxylate Traditional Name: 1-propionylnipecotic acid [4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl ester Formula: C20H26N6O3 MolecularWeight: 398.45884

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCCC(C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3C)N

Isomeric SMILES

CCC(=O)N1CCCC(C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3C)N

InChI

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