3,7-dimethyl-8-[2-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-8-[2-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-8-[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]purine-2,6-dione CAS Name: 3,7-dimethyl-8-[(6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]purine-2,6-dione IUPAC Name: 3,7-dimethyl-8-[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]purine-2,6-dione Traditional Name: 8-[N'-[(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-3,7-dimethyl-xanthine Formula: C14H14N6O3 MolecularWeight: 314.29936

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NNC=C3C=CC=CC3=O)N(C(=O)NC2=O)C

Isomeric SMILES

CN1C2=C(N=C1NNC=C3C=CC=CC3=O)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H14N6O3/c1-19-10-11(20(2)14(23)17-12(10)22)16-13(19)18-15-7-8-5-3-4-6-9(8)21/h3-7,15H,1-2H3,(H,16,18)(H,17,22,23)