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

Systemtic Name: 3-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[(4,6-diamino-s-triazin-2-yl)methyl]-4-keto-phthalazine-1-carboxylic acid Formula: C13H11N7O3 MolecularWeight: 313.27154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NC(=NC(=N3)N)N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NC(=NC(=N3)N)N)C(=O)O

InChI

InChI=1S/C13H11N7O3/c14-12-16-8(17-13(15)18-12)5-20-10(21)7-4-2-1-3-6(7)9(19-20)11(22)23/h1-4H,5H2,(H,22,23)(H4,14,15,16,17,18)