3-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C18H16N6O5 MolecularWeight: 396.35684

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C18H16N6O5/c1-21-14-13(16(26)22(2)18(21)29)23(9-19-14)7-8-24-15(25)11-6-4-3-5-10(11)12(20-24)17(27)28/h3-6,9H,7-8H2,1-2H3,(H,27,28)