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

Systemtic Name: [4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate Openeye Name: [4-amino-6-(2-ethylanilino)-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-ethylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 1-(thiophene-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-thenoyl)isonipecotic acid [4-amino-6-(2-ethylanilino)-s-triazin-2-yl]methyl ester Formula: C23H26N6O3S MolecularWeight: 466.55594

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C23H26N6O3S/c1-2-15-6-3-4-7-17(15)25-23-27-19(26-22(24)28-23)14-32-21(31)16-9-11-29(12-10-16)20(30)18-8-5-13-33-18/h3-8,13,16H,2,9-12,14H2,1H3,(H3,24,25,26,27,28)