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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-acetamidobenzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic 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-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C19H18N6O3 MolecularWeight: 378.38462

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C19H18N6O3/c1-12(26)21-15-9-5-6-13(10-15)17(27)28-11-16-23-18(20)25-19(24-16)22-14-7-3-2-4-8-14/h2-10H,11H2,1H3,(H,21,26)(H3,20,22,23,24,25)