[4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 3-ethyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-ethyl-4-oxo-1-phthalazinecarboxylic acid [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 3-ethyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-ethyl-4-keto-phthalazine-1-carboxylic acid [4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl ester Formula: C22H21N7O3 MolecularWeight: 431.44724

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4C)N

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4C)N

InChI

InChI=1S/C22H21N7O3/c1-3-29-19(30)15-10-6-5-9-14(15)18(28-29)20(31)32-12-17-25-21(23)27-22(26-17)24-16-11-7-4-8-13(16)2/h4-11H,3,12H2,1-2H3,(H3,23,24,25,26,27)