2-[2,4-dimethyl-1,3-bis(oxidanylidene)-7-phenyl-purino[7,8-a]imidazol-6-yl]ethanoate

Systemtic Name: 2-[2,4-dimethyl-1,3-bis(oxidanylidene)-7-phenyl-purino[7,8-a]imidazol-6-yl]ethanoate Openeye Name: 2-(2,4-dimethyl-1,3-dioxo-7-phenyl-purino[7,8-a]imidazol-6-yl)acetate CAS Name: 2-(2,4-dimethyl-1,3-dioxo-7-phenyl-6-purino[7,8-a]imidazolyl)acetate IUPAC Name: 2-(2,4-dimethyl-1,3-dioxo-7-phenylpurino[7,8-a]imidazol-6-yl)acetate Traditional Name: 2-(1,3-diketo-2,4-dimethyl-7-phenyl-purin[7,8-a]imidazol-6-yl)acetate Formula: C17H14N5O4- MolecularWeight: 352.32416

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CC(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CC(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C17H15N5O4/c1-19-14-13(15(25)20(2)17(19)26)22-8-11(10-6-4-3-5-7-10)21(9-12(23)24)16(22)18-14/h3-8H,9H2,1-2H3,(H,23,24)/p-1