(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-[methyl(phenyl)carbamoyl]benzoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-[methyl(phenyl)carbamoyl]benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-[methyl(phenyl)carbamoyl]benzoate CAS Name: 2-[(N-methylanilino)-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-[methyl(phenyl)carbamoyl]benzoate Traditional Name: 2-[methyl(phenyl)carbamoyl]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:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N6O3/c1-31(18-12-6-3-7-13-18)22(32)19-14-8-9-15-20(19)23(33)34-16-21-28-24(26)30-25(29-21)27-17-10-4-2-5-11-17/h2-15H,16H2,1H3,(H3,26,27,28,29,30)