8-[2-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-7-hexyl-3-methyl-purine-2,6-dione

Systemtic Name: 8-[2-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-7-hexyl-3-methyl-purine-2,6-dione Openeye Name: 8-[2-[(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-7-hexyl-3-methyl-purine-2,6-dione CAS Name: 8-[(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-7-hexyl-3-methylpurine-2,6-dione IUPAC Name: 8-[2-[(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-7-hexyl-3-methylpurine-2,6-dione Traditional Name: 8-[N'-[(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-7-hexyl-3-methyl-xanthine Formula: C20H25BrN6O4 MolecularWeight: 493.3543

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1NNC=C3C=C(C(=O)C(=C3)Br)OC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1NNC=C3C=C(C(=O)C(=C3)Br)OC)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H25BrN6O4/c1-4-5-6-7-8-27-15-17(26(2)20(30)24-18(15)29)23-19(27)25-22-11-12-9-13(21)16(28)14(10-12)31-3/h9-11,22H,4-8H2,1-3H3,(H,23,25)(H,24,29,30)