[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic 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 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C16H17N7O3 MolecularWeight: 355.35128

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=N1)N)COC(=O)CC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CN(C)C1=NC(=NC(=N1)N)COC(=O)CC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C16H17N7O3/c1-23(2)16-19-12(18-15(17)20-16)8-26-13(24)7-11-9-5-3-4-6-10(9)14(25)22-21-11/h3-6H,7-8H2,1-2H3,(H,22,25)(H2,17,18,19,20)