4-oxidanylidene-3-[1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl]phthalazine-1-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-[1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl]phthalazine-1-carboxylic acid Openeye Name: 3-[1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[1-oxo-1-(7H-purin-6-ylamino)propan-2-yl]-1-phthalazinecarboxylic acid IUPAC Name: 4-oxo-3-[1-oxo-1-(7H-purin-6-ylamino)propan-2-yl]phthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl]phthalazine-1-carboxylic acid Formula: C17H13N7O4 MolecularWeight: 379.32962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=NC2=C1NC=N2)N3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

CC(C(=O)NC1=NC=NC2=C1NC=N2)N3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C17H13N7O4/c1-8(15(25)22-14-12-13(19-6-18-12)20-7-21-14)24-16(26)10-5-3-2-4-9(10)11(23-24)17(27)28/h2-8H,1H3,(H,27,28)(H2,18,19,20,21,22,25)