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

Systemtic Name: 8-[2-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-7-butyl-3-methyl-purine-2,6-dione Openeye Name: 8-[2-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-7-butyl-3-methyl-purine-2,6-dione CAS Name: 8-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-7-butyl-3-methylpurine-2,6-dione IUPAC Name: 8-[2-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-7-butyl-3-methylpurine-2,6-dione Traditional Name: 8-[N'-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-7-butyl-3-methyl-xanthine Formula: C17H19BrN6O3 MolecularWeight: 435.27516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1NNC=C3C=C(C=CC3=O)Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCN1C2=C(N=C1NNC=C3C=C(C=CC3=O)Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H19BrN6O3/c1-3-4-7-24-13-14(23(2)17(27)21-15(13)26)20-16(24)22-19-9-10-8-11(18)5-6-12(10)25/h5-6,8-9,19H,3-4,7H2,1-2H3,(H,20,22)(H,21,26,27)