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

Systemtic Name: 1,3-dimethyl-8-[2-[1-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)ethyl]hydrazinyl]-7-phenethyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[2-[1-(4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]hydrazino]-7-phenethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[1-(4-oxo-1-cyclohexa-2,5-dienylidene)ethylhydrazo]-7-phenethylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[2-[1-(4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]hydrazinyl]-7-phenethylpurine-2,6-dione Traditional Name: 8-[N'-[1-(4-ketocyclohexa-2,5-dien-1-ylidene)ethyl]hydrazino]-1,3-dimethyl-7-phenethyl-xanthine Formula: C23H24N6O3 MolecularWeight: 432.47506

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C=CC(=O)C=C1)NNC2=NC3=C(N2CCC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(=C1C=CC(=O)C=C1)NNC2=NC3=C(N2CCC4=CC=CC=C4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C23H24N6O3/c1-15(17-9-11-18(30)12-10-17)25-26-22-24-20-19(21(31)28(3)23(32)27(20)2)29(22)14-13-16-7-5-4-6-8-16/h4-12,25H,13-14H2,1-3H3,(H,24,26)