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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate CAS Name: 1-(2,2-dimethyl-1-oxopropyl)-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-(2,2-dimethylpropanoyl)piperidine-4-carboxylate Traditional Name: 1-pivaloylisonipecotic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCC(CC1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CC(C)(C)C(=O)N1CCC(CC1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C21H28N6O3/c1-21(2,3)18(29)27-11-9-14(10-12-27)17(28)30-13-16-24-19(22)26-20(25-16)23-15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3,(H3,22,23,24,25,26)