(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic 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-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C26H21N7O3 MolecularWeight: 479.49004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=NC(=NC(=N4)NC5=CC=CC=C5)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=NC(=NC(=N4)NC5=CC=CC=C5)N

InChI

InChI=1S/C26H21N7O3/c27-25-29-21(30-26(31-25)28-18-11-5-2-6-12-18)16-36-24(35)22-19-13-7-8-14-20(19)23(34)33(32-22)15-17-9-3-1-4-10-17/h1-14H,15-16H2,(H3,27,28,29,30,31)