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

Systemtic Name: 1,3-dimethyl-8-[2-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-7-phenethyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[2-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-7-phenethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-7-phenethylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[2-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-7-phenethylpurine-2,6-dione Traditional Name: 8-[N'-[(4-ketocyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-1,3-dimethyl-7-phenethyl-xanthine Formula: C22H22N6O3 MolecularWeight: 418.44848

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NNC=C3C=CC(=O)C=C3)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NNC=C3C=CC(=O)C=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H22N6O3/c1-26-19-18(20(30)27(2)22(26)31)28(13-12-15-6-4-3-5-7-15)21(24-19)25-23-14-16-8-10-17(29)11-9-16/h3-11,14,23H,12-13H2,1-2H3,(H,24,25)