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

Systemtic Name: 8-[(2E)-2-[(E)-2-bromanyl-3-phenyl-prop-2-enylidene]hydrazinyl]-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[(2E)-2-[(E)-2-bromo-3-phenyl-prop-2-enylidene]hydrazino]-3-methyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[(E)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[(2E)-2-[(E)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-[(N'E)-N'-[(E)-2-bromo-3-phenyl-prop-2-enylidene]hydrazino]-3-methyl-xanthine Formula: C22H19BrN6O2 MolecularWeight: 479.32926

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC(=CC3=CC=CC=C3)Br)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C(=C\C3=CC=CC=C3)/Br)CC4=CC=CC=C4

InChI

InChI=1S/C22H19BrN6O2/c1-28-19-18(20(30)26-22(28)31)29(14-16-10-6-3-7-11-16)21(25-19)27-24-13-17(23)12-15-8-4-2-5-9-15/h2-13H,14H2,1H3,(H,25,27)(H,26,30,31)/b17-12+,24-13+