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

Systemtic Name: 8-[2-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-1,3-dimethyl-7-phenethyl-purine-2,6-dione Openeye Name: 8-[2-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-1,3-dimethyl-7-phenethyl-purine-2,6-dione CAS Name: 8-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-1,3-dimethyl-7-phenethylpurine-2,6-dione IUPAC Name: 8-[2-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-1,3-dimethyl-7-phenethylpurine-2,6-dione Traditional Name: 8-[N'-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-1,3-dimethyl-7-phenethyl-xanthine Formula: C22H21BrN6O3 MolecularWeight: 497.34454

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NNC=C3C=C(C=CC3=O)Br)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NNC=C3C=C(C=CC3=O)Br)CCC4=CC=CC=C4

InChI

InChI=1S/C22H21BrN6O3/c1-27-19-18(20(31)28(2)22(27)32)29(11-10-14-6-4-3-5-7-14)21(25-19)26-24-13-15-12-16(23)8-9-17(15)30/h3-9,12-13,24H,10-11H2,1-2H3,(H,25,26)