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

Systemtic Name: 3-methyl-7-octyl-8-[2-[1-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)ethyl]hydrazinyl]purine-2,6-dione Openeye Name: 3-methyl-7-octyl-8-[2-[1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]hydrazino]purine-2,6-dione CAS Name: 3-methyl-7-octyl-8-[1-(6-oxo-1-cyclohexa-2,4-dienylidene)ethylhydrazo]purine-2,6-dione IUPAC Name: 3-methyl-7-octyl-8-[2-[1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]hydrazinyl]purine-2,6-dione Traditional Name: 8-[N'-[1-(6-ketocyclohexa-2,4-dien-1-ylidene)ethyl]hydrazino]-3-methyl-7-octyl-xanthine Formula: C22H30N6O3 MolecularWeight: 426.512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1NNC(=C3C=CC=CC3=O)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1NNC(=C3C=CC=CC3=O)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C22H30N6O3/c1-4-5-6-7-8-11-14-28-18-19(27(3)22(31)24-20(18)30)23-21(28)26-25-15(2)16-12-9-10-13-17(16)29/h9-10,12-13,25H,4-8,11,14H2,1-3H3,(H,23,26)(H,24,30,31)