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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC(=C(C=C3)Cl)N

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC(=C(C=C3)Cl)N

InChI

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