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

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

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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)NC(=O)N3C

Isomeric SMILES

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

InChI

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