1-methyl-8-[(5Z)-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-2H-1,2,4-oxadiazol-3-yl]purine-2,6-dione

Systemtic Name: 1-methyl-8-[(5Z)-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-2H-1,2,4-oxadiazol-3-yl]purine-2,6-dione Openeye Name: 1-methyl-8-[(5Z)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-2H-1,2,4-oxadiazol-3-yl]purine-2,6-dione CAS Name: 1-methyl-8-[(5Z)-5-(6-oxo-1-cyclohexa-2,4-dienylidene)-2H-1,2,4-oxadiazol-3-yl]purine-2,6-dione IUPAC Name: 1-methyl-8-[(5Z)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-2H-1,2,4-oxadiazol-3-yl]purine-2,6-dione Traditional Name: 8-[(5Z)-5-(6-ketocyclohexa-2,4-dien-1-ylidene)-2H-1,2,4-oxadiazol-3-yl]-1-methyl-xanthine Formula: C14H8N6O4 MolecularWeight: 324.25112

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=NC(=NC2=NC1=O)C3=NC(=C4C=CC=CC4=O)ON3

Isomeric SMILES

CN1C(=O)C2=NC(=NC2=NC1=O)C3=N/C(=C/4\C=CC=CC4=O)/ON3

InChI

InChI=1S/C14H8N6O4/c1-20-13(22)8-9(18-14(20)23)16-10(15-8)11-17-12(24-19-11)6-4-2-3-5-7(6)21/h2-5H,1H3,(H,17,19)/b12-6-