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

Systemtic Name: [4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate Openeye Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 1-(thiophene-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-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-(thiophene-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-thenoyl)isonipecotic acid [4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl ester Formula: C22H24N6O3S MolecularWeight: 452.52936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C22H24N6O3S/c1-14-5-2-3-6-16(14)24-22-26-18(25-21(23)27-22)13-31-20(30)15-8-10-28(11-9-15)19(29)17-7-4-12-32-17/h2-7,12,15H,8-11,13H2,1H3,(H3,23,24,25,26,27)