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

Systemtic Name: [4-azanyl-6-[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl]methyl 2-azanyl-3-methyl-benzoate Openeye Name: [4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl 2-amino-3-methyl-benzoate CAS Name: 2-amino-3-methylbenzoic acid [4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl 2-amino-3-methylbenzoate Traditional Name: 2-amino-3-methyl-benzoic acid [4-amino-6-(4-chloroanilino)-s-triazin-2-yl]methyl ester Formula: C18H17ClN6O2 MolecularWeight: 384.81958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1N)C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)Cl)N

Isomeric SMILES

CC1=CC=CC(=C1N)C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)Cl)N

InChI

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