(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-pyrazol-1-ylbenzoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-pyrazol-1-ylbenzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C20H17N7O2 MolecularWeight: 387.39468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C20H17N7O2/c21-19-24-17(25-20(26-19)23-15-5-2-1-3-6-15)13-29-18(28)14-7-9-16(10-8-14)27-12-4-11-22-27/h1-12H,13H2,(H3,21,23,24,25,26)