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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(4-methylphenyl)carbonylbenzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(4-methylbenzoyl)benzoate CAS Name: 2-[(4-methylphenyl)-oxomethyl]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-(4-methylbenzoyl)benzoate Traditional Name: 2-p-toluoylbenzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C25H21N5O3 MolecularWeight: 439.46594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C25H21N5O3/c1-16-11-13-17(14-12-16)22(31)19-9-5-6-10-20(19)23(32)33-15-21-28-24(26)30-25(29-21)27-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H3,26,27,28,29,30)