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

Systemtic Name: [4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 4-butylcyclohexane-1-carboxylate Openeye Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [4-amino-6-(p-toluidino)-s-triazin-2-yl]methyl ester Formula: C22H31N5O2 MolecularWeight: 397.51384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)C)N

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)C)N

InChI

InChI=1S/C22H31N5O2/c1-3-4-5-16-8-10-17(11-9-16)20(28)29-14-19-25-21(23)27-22(26-19)24-18-12-6-15(2)7-13-18/h6-7,12-13,16-17H,3-5,8-11,14H2,1-2H3,(H3,23,24,25,26,27)