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

Systemtic Name: [4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl adamantane-1-carboxylate Openeye Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl ester Formula: C22H27N5O2 MolecularWeight: 393.48208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27N5O2/c1-13-4-2-3-5-17(13)24-21-26-18(25-20(23)27-21)12-29-19(28)22-9-14-6-15(10-22)8-16(7-14)11-22/h2-5,14-16H,6-12H2,1H3,(H3,23,24,25,26,27)