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

Systemtic Name: 8-[(2E)-2-[(Z)-2-bromanyl-3-phenyl-prop-2-enylidene]hydrazinyl]-7-decyl-3-methyl-purine-2,6-dione Openeye Name: 8-[(2E)-2-[(Z)-2-bromo-3-phenyl-prop-2-enylidene]hydrazino]-7-decyl-3-methyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-7-decyl-3-methylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-7-decyl-3-methylpurine-2,6-dione Traditional Name: 8-[(N'E)-N'-[(Z)-2-bromo-3-phenyl-prop-2-enylidene]hydrazino]-7-decyl-3-methyl-xanthine Formula: C25H33BrN6O2 MolecularWeight: 529.47252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C2=C(N=C1NN=CC(=CC3=CC=CC=C3)Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCN1C2=C(N=C1N/N=C/C(=C/C3=CC=CC=C3)/Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C25H33BrN6O2/c1-3-4-5-6-7-8-9-13-16-32-21-22(31(2)25(34)29-23(21)33)28-24(32)30-27-18-20(26)17-19-14-11-10-12-15-19/h10-12,14-15,17-18H,3-9,13,16H2,1-2H3,(H,28,30)(H,29,33,34)/b20-17-,27-18+