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

Systemtic Name: [4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 3-pyrrol-1-ylbenzoate Openeye Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 3-pyrrol-1-ylbenzoate CAS Name: 3-(1-pyrrolyl)benzoic 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 3-pyrrol-1-ylbenzoate Traditional Name: 3-pyrrol-1-ylbenzoic acid [4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl ester Formula: C22H20N6O2 MolecularWeight: 400.4332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC(=CC=C3)N4C=CC=C4

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC(=CC=C3)N4C=CC=C4

InChI

InChI=1S/C22H20N6O2/c1-15-7-2-3-10-18(15)24-22-26-19(25-21(23)27-22)14-30-20(29)16-8-6-9-17(13-16)28-11-4-5-12-28/h2-13H,14H2,1H3,(H3,23,24,25,26,27)