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

Systemtic Name: [4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl cyclohex-3-ene-1-carboxylate Openeye Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl cyclohex-3-ene-1-carboxylate CAS Name: 1-cyclohex-3-enecarboxylic 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 cyclohex-3-ene-1-carboxylate Traditional Name: cyclohex-3-ene-1-carboxylic acid [4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl ester Formula: C18H21N5O2 MolecularWeight: 339.39164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3CCC=CC3

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3CCC=CC3

InChI

InChI=1S/C18H21N5O2/c1-12-7-5-6-10-14(12)20-18-22-15(21-17(19)23-18)11-25-16(24)13-8-3-2-4-9-13/h2-3,5-7,10,13H,4,8-9,11H2,1H3,(H3,19,20,21,22,23)