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

Systemtic Name: [4-azanyl-6-[(2-methoxyphenyl)amino]-1,3,5-triazin-2-yl]methyl 2-azanyl-3-chloranyl-benzoate Openeye Name: [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 2-amino-3-chloro-benzoate CAS Name: 2-amino-3-chlorobenzoic acid [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 2-amino-3-chlorobenzoate Traditional Name: 2-amino-3-chloro-benzoic acid [4-amino-6-(o-anisidino)-s-triazin-2-yl]methyl ester Formula: C18H17ClN6O3 MolecularWeight: 400.81898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=C(C(=CC=C3)Cl)N

Isomeric SMILES

COC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=C(C(=CC=C3)Cl)N

InChI

InChI=1S/C18H17ClN6O3/c1-27-13-8-3-2-7-12(13)22-18-24-14(23-17(21)25-18)9-28-16(26)10-5-4-6-11(19)15(10)20/h2-8H,9,20H2,1H3,(H3,21,22,23,24,25)