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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-cyanobenzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-cyanobenzoate CAS Name: 3-cyanobenzoic 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 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C18H14N6O2 MolecularWeight: 346.34276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N6O2/c19-10-12-5-4-6-13(9-12)16(25)26-11-15-22-17(20)24-18(23-15)21-14-7-2-1-3-8-14/h1-9H,11H2,(H3,20,21,22,23,24)