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

Systemtic Name: [4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 2-azanyl-3-chloranyl-benzoate Openeye Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 2-amino-3-chloro-benzoate CAS Name: 2-amino-3-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 2-amino-3-chlorobenzoate Traditional Name: 2-amino-3-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=C(C(=CC=C3)Cl)N

Isomeric SMILES

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

InChI

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