8-[2-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-7-butyl-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-butyl-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-butyl-3-methyl-purine-2,6-dione CAS Name: 8-[(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-7-butyl-3-methylpurine-2,6-dione IUPAC Name: 8-[2-[(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-7-butyl-3-methylpurine-2,6-dione Traditional Name: 8-[N'-[(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-7-butyl-3-methyl-xanthine Formula: C18H21BrN6O4 MolecularWeight: 465.30114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1NNC=C3C=C(C(=O)C(=C3)Br)OC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCN1C2=C(N=C1NNC=C3C=C(C(=O)C(=C3)Br)OC)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H21BrN6O4/c1-4-5-6-25-13-15(24(2)18(28)22-16(13)27)21-17(25)23-20-9-10-7-11(19)14(26)12(8-10)29-3/h7-9,20H,4-6H2,1-3H3,(H,21,23)(H,22,27,28)