(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate Openeye Name: (4-amino-6-anilino-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-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 1-(thiophene-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-thenoyl)isonipecotic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H22N6O3S MolecularWeight: 438.50278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H22N6O3S/c22-20-24-17(25-21(26-20)23-15-5-2-1-3-6-15)13-30-19(29)14-8-10-27(11-9-14)18(28)16-7-4-12-31-16/h1-7,12,14H,8-11,13H2,(H3,22,23,24,25,26)