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

Systemtic Name: [4-azanyl-6-[(2-methoxyphenyl)amino]-1,3,5-triazin-2-yl]methyl 4-pyrazol-1-ylbenzoate Openeye Name: [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic 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 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [4-amino-6-(o-anisidino)-s-triazin-2-yl]methyl ester Formula: C21H19N7O3 MolecularWeight: 417.42066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

COC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H19N7O3/c1-30-17-6-3-2-5-16(17)24-21-26-18(25-20(22)27-21)13-31-19(29)14-7-9-15(10-8-14)28-12-4-11-23-28/h2-12H,13H2,1H3,(H3,22,24,25,26,27)