8-[(2E)-2-[(Z)-2-bromanyl-3-phenyl-prop-2-enylidene]hydrazinyl]-7-heptyl-3-methyl-purine-2,6-dione

Systemtic Name: 8-[(2E)-2-[(Z)-2-bromanyl-3-phenyl-prop-2-enylidene]hydrazinyl]-7-heptyl-3-methyl-purine-2,6-dione Openeye Name: 8-[(2E)-2-[(Z)-2-bromo-3-phenyl-prop-2-enylidene]hydrazino]-7-heptyl-3-methyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-7-heptyl-3-methylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-7-heptyl-3-methylpurine-2,6-dione Traditional Name: 8-[(N'E)-N'-[(Z)-2-bromo-3-phenyl-prop-2-enylidene]hydrazino]-7-heptyl-3-methyl-xanthine Formula: C22H27BrN6O2 MolecularWeight: 487.39278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1NN=CC(=CC3=CC=CC=C3)Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1N/N=C/C(=C/C3=CC=CC=C3)/Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C22H27BrN6O2/c1-3-4-5-6-10-13-29-18-19(28(2)22(31)26-20(18)30)25-21(29)27-24-15-17(23)14-16-11-8-7-9-12-16/h7-9,11-12,14-15H,3-6,10,13H2,1-2H3,(H,25,27)(H,26,30,31)/b17-14-,24-15+