1-[[4-azanyl-6-[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxamide

Systemtic Name: 1-[[4-azanyl-6-[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxamide Openeye Name: 1-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxamide CAS Name: 1-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxamide Traditional Name: 1-[[4-amino-6-(4-chloroanilino)-s-triazin-2-yl]methyl]isonipecotamide Formula: C16H20ClN7O MolecularWeight: 361.8293

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)CC2=NC(=NC(=N2)NC3=CC=C(C=C3)Cl)N

Isomeric SMILES

C1CN(CCC1C(=O)N)CC2=NC(=NC(=N2)NC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C16H20ClN7O/c17-11-1-3-12(4-2-11)20-16-22-13(21-15(19)23-16)9-24-7-5-10(6-8-24)14(18)25/h1-4,10H,5-9H2,(H2,18,25)(H3,19,20,21,22,23)