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

Systemtic Name: 1,3-dimethyl-8-[2-[(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-7-phenethyl-purine-2,6-dione Openeye Name: 8-[2-[(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-1,3-dimethyl-7-phenethyl-purine-2,6-dione CAS Name: 8-[(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-1,3-dimethyl-7-phenethylpurine-2,6-dione IUPAC Name: 8-[2-[(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-1,3-dimethyl-7-phenethylpurine-2,6-dione Traditional Name: 8-[N'-[(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-1,3-dimethyl-7-phenethyl-xanthine Formula: C22H22N6O4 MolecularWeight: 434.44788

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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=C3O)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NNC=C3C=CC(=O)C=C3O)CCC4=CC=CC=C4

InChI

InChI=1S/C22H22N6O4/c1-26-19-18(20(31)27(2)22(26)32)28(11-10-14-6-4-3-5-7-14)21(24-19)25-23-13-15-8-9-16(29)12-17(15)30/h3-9,12-13,23,30H,10-11H2,1-2H3,(H,24,25)