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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(2-phenylethanoylamino)benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-[(2-phenylacetyl)amino]benzoate CAS Name: 2-[(1-oxo-2-phenylethyl)amino]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 2-[(2-phenylacetyl)amino]benzoate Traditional Name: 2-[(2-phenylacetyl)amino]benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C25H22N6O3 MolecularWeight: 454.48058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC2=CC=CC=C2C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC2=CC=CC=C2C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C25H22N6O3/c26-24-29-21(30-25(31-24)27-18-11-5-2-6-12-18)16-34-23(33)19-13-7-8-14-20(19)28-22(32)15-17-9-3-1-4-10-17/h1-14H,15-16H2,(H,28,32)(H3,26,27,29,30,31)