(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)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-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C19H16N8O2 MolecularWeight: 388.38274

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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=NC=N4

Isomeric SMILES

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

InChI

InChI=1S/C19H16N8O2/c20-18-24-16(25-19(26-18)23-14-4-2-1-3-5-14)10-29-17(28)13-6-8-15(9-7-13)27-12-21-11-22-27/h1-9,11-12H,10H2,(H3,20,23,24,25,26)