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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-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-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C20H17N7O3 MolecularWeight: 403.39408

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C20H17N7O3/c1-27-17(28)14-10-6-5-9-13(14)16(26-27)18(29)30-11-15-23-19(21)25-20(24-15)22-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H3,21,22,23,24,25)