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

Systemtic Name: 8-[2-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-3-methyl-7-phenethyl-purine-2,6-dione Openeye Name: 8-[2-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-3-methyl-7-phenethyl-purine-2,6-dione CAS Name: 8-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-3-methyl-7-phenethylpurine-2,6-dione IUPAC Name: 8-[2-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-3-methyl-7-phenethylpurine-2,6-dione Traditional Name: 8-[N'-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-3-methyl-7-phenethyl-xanthine Formula: C21H19BrN6O3 MolecularWeight: 483.31796

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC=C3C=C(C=CC3=O)Br)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC=C3C=C(C=CC3=O)Br)CCC4=CC=CC=C4

InChI

InChI=1S/C21H19BrN6O3/c1-27-18-17(19(30)25-21(27)31)28(10-9-13-5-3-2-4-6-13)20(24-18)26-23-12-14-11-15(22)7-8-16(14)29/h2-8,11-12,23H,9-10H2,1H3,(H,24,26)(H,25,30,31)