[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C21H27N7O3 MolecularWeight: 425.48418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC(=NC(=N3)N(C)C)N

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NC(=NC(=N3)N(C)C)N

InChI

InChI=1S/C21H27N7O3/c1-4-5-6-9-12-28-18(29)15-11-8-7-10-14(15)17(26-28)19(30)31-13-16-23-20(22)25-21(24-16)27(2)3/h7-8,10-11H,4-6,9,12-13H2,1-3H3,(H2,22,23,24,25)