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

Systemtic Name: [4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 2-azanyl-4-chloranyl-benzoate Openeye Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-amino-4-chloro-benzoate CAS Name: 2-amino-4-chlorobenzoic 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 2-amino-4-chlorobenzoate Traditional Name: 2-amino-4-chloro-benzoic acid [4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl ester Formula: C18H17ClN6O2 MolecularWeight: 384.81958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=C(C=C(C=C3)Cl)N

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=C(C=C(C=C3)Cl)N

InChI

InChI=1S/C18H17ClN6O2/c1-10-4-2-3-5-14(10)22-18-24-15(23-17(21)25-18)9-27-16(26)12-7-6-11(19)8-13(12)20/h2-8H,9,20H2,1H3,(H3,21,22,23,24,25)