8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-nonyl-purine-2,6-dione

Systemtic Name: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-nonyl-purine-2,6-dione Openeye Name: 8-[(2E)-2-[(4-bromophenyl)methylene]hydrazino]-3-methyl-7-nonyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-nonylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-nonylpurine-2,6-dione Traditional Name: 8-[(N'E)-N'-(4-bromobenzylidene)hydrazino]-3-methyl-7-nonyl-xanthine Formula: C22H29BrN6O2 MolecularWeight: 489.40866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1NN=CC3=CC=C(C=C3)Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1N/N=C/C3=CC=C(C=C3)Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C22H29BrN6O2/c1-3-4-5-6-7-8-9-14-29-18-19(28(2)22(31)26-20(18)30)25-21(29)27-24-15-16-10-12-17(23)13-11-16/h10-13,15H,3-9,14H2,1-2H3,(H,25,27)(H,26,30,31)/b24-15+