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

Systemtic Name: [4-azanyl-6-[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl]methyl 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [4-amino-6-(4-chloroanilino)-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-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-chloroanilino)-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-(4-chloroanilino)-s-triazin-2-yl]methyl ester Formula: C21H18ClN7O3 MolecularWeight: 451.86572

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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=C(C=C4)Cl)N

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC(=NC(=N3)NC4=CC=C(C=C4)Cl)N

InChI

InChI=1S/C21H18ClN7O3/c1-2-29-18(30)15-6-4-3-5-14(15)17(28-29)19(31)32-11-16-25-20(23)27-21(26-16)24-13-9-7-12(22)8-10-13/h3-10H,2,11H2,1H3,(H3,23,24,25,26,27)