8-[2-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-7-decyl-3-methyl-purine-2,6-dione

Systemtic Name: 8-[2-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-7-decyl-3-methyl-purine-2,6-dione Openeye Name: 8-[2-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-7-decyl-3-methyl-purine-2,6-dione CAS Name: 8-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-7-decyl-3-methylpurine-2,6-dione IUPAC Name: 8-[2-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-7-decyl-3-methylpurine-2,6-dione Traditional Name: 8-[N'-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-7-decyl-3-methyl-xanthine Formula: C23H31BrN6O3 MolecularWeight: 519.43464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C2=C(N=C1NNC=C3C=C(C=CC3=O)Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCN1C2=C(N=C1NNC=C3C=C(C=CC3=O)Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C23H31BrN6O3/c1-3-4-5-6-7-8-9-10-13-30-19-20(29(2)23(33)27-21(19)32)26-22(30)28-25-15-16-14-17(24)11-12-18(16)31/h11-12,14-15,25H,3-10,13H2,1-2H3,(H,26,28)(H,27,32,33)