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

Systemtic Name: [4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 4-acetamidobenzoate Openeye Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 4-acetamidobenzoate CAS Name: 4-acetamidobenzoic 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 4-acetamidobenzoate Traditional Name: 4-acetamidobenzoic acid [4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl ester Formula: C20H20N6O3 MolecularWeight: 392.4112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N6O3/c1-12-5-3-4-6-16(12)23-20-25-17(24-19(21)26-20)11-29-18(28)14-7-9-15(10-8-14)22-13(2)27/h3-10H,11H2,1-2H3,(H,22,27)(H3,21,23,24,25,26)