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

Systemtic Name: 8-[(2Z)-2-[(Z)-2-bromanyl-3-phenyl-prop-2-enylidene]hydrazinyl]-7-dodecyl-3-methyl-purine-2,6-dione Openeye Name: 8-[(2Z)-2-[(Z)-2-bromo-3-phenyl-prop-2-enylidene]hydrazino]-7-dodecyl-3-methyl-purine-2,6-dione CAS Name: 8-[(2Z)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-7-dodecyl-3-methylpurine-2,6-dione IUPAC Name: 8-[(2Z)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-7-dodecyl-3-methylpurine-2,6-dione Traditional Name: 8-[(N'Z)-N'-[(Z)-2-bromo-3-phenyl-prop-2-enylidene]hydrazino]-7-lauryl-3-methyl-xanthine Formula: C27H37BrN6O2 MolecularWeight: 557.52568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(N=C1NN=CC(=CC3=CC=CC=C3)Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCN1C2=C(N=C1N/N=C\C(=C\C3=CC=CC=C3)\Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C27H37BrN6O2/c1-3-4-5-6-7-8-9-10-11-15-18-34-23-24(33(2)27(36)31-25(23)35)30-26(34)32-29-20-22(28)19-21-16-13-12-14-17-21/h12-14,16-17,19-20H,3-11,15,18H2,1-2H3,(H,30,32)(H,31,35,36)/b22-19-,29-20-