8-[(2E)-2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-3-methyl-7-octyl-purine-2,6-dione

Systemtic Name: 8-[(2E)-2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-3-methyl-7-octyl-purine-2,6-dione Openeye Name: 8-[(2E)-2-[1-(4-bromophenyl)ethylidene]hydrazino]-3-methyl-7-octyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-3-methyl-7-octylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-3-methyl-7-octylpurine-2,6-dione Traditional Name: 8-[(N'E)-N'-[1-(4-bromophenyl)ethylidene]hydrazino]-3-methyl-7-octyl-xanthine Formula: C22H29BrN6O2 MolecularWeight: 489.40866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1NN=C(C)C3=CC=C(C=C3)Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1N/N=C(\C)/C3=CC=C(C=C3)Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C22H29BrN6O2/c1-4-5-6-7-8-9-14-29-18-19(28(3)22(31)25-20(18)30)24-21(29)27-26-15(2)16-10-12-17(23)13-11-16/h10-13H,4-9,14H2,1-3H3,(H,24,27)(H,25,30,31)/b26-15+