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

Systemtic Name: 3-[[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[[4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl]-4-keto-phthalazine-1-carboxylic acid Formula: C15H15N7O3 MolecularWeight: 341.3247

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=N1)N)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CN(C)C1=NC(=NC(=N1)N)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C15H15N7O3/c1-21(2)15-18-10(17-14(16)19-15)7-22-12(23)9-6-4-3-5-8(9)11(20-22)13(24)25/h3-6H,7H2,1-2H3,(H,24,25)(H2,16,17,18,19)