1,3,7-trimethyl-8-[2-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-[2-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[2-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[2-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]purine-2,6-dione Traditional Name: 8-[N'-[(4-ketocyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-1,3,7-trimethyl-xanthine Formula: C15H16N6O3 MolecularWeight: 328.32594

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NNC=C3C=CC(=O)C=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1NNC=C3C=CC(=O)C=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C15H16N6O3/c1-19-11-12(20(2)15(24)21(3)13(11)23)17-14(19)18-16-8-9-4-6-10(22)7-5-9/h4-8,16H,1-3H3,(H,17,18)