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

Systemtic Name: 8-[2-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-7-hexyl-3-methyl-purine-2,6-dione Openeye Name: 8-[2-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-7-hexyl-3-methyl-purine-2,6-dione CAS Name: 8-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-7-hexyl-3-methylpurine-2,6-dione IUPAC Name: 8-[2-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-7-hexyl-3-methylpurine-2,6-dione Traditional Name: 8-[N'-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-7-hexyl-3-methyl-xanthine Formula: C19H23BrN6O3 MolecularWeight: 463.32832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1NNC=C3C=C(C=CC3=O)Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1NNC=C3C=C(C=CC3=O)Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H23BrN6O3/c1-3-4-5-6-9-26-15-16(25(2)19(29)23-17(15)28)22-18(26)24-21-11-12-10-13(20)7-8-14(12)27/h7-8,10-11,21H,3-6,9H2,1-2H3,(H,22,24)(H,23,28,29)