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

Systemtic Name: 8-[(2E)-2-[(Z)-2-bromanyl-3-phenyl-prop-2-enylidene]hydrazinyl]-3-methyl-7-(2-oxidanyl-3-propan-2-yloxy-propyl)purine-2,6-dione Openeye Name: 8-[(2E)-2-[(Z)-2-bromo-3-phenyl-prop-2-enylidene]hydrazino]-7-(2-hydroxy-3-isopropoxy-propyl)-3-methyl-purine-2,6-dione CAS Name: 8-[(2E)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methylpurine-2,6-dione Traditional Name: 8-[(N'E)-N'-[(Z)-2-bromo-3-phenyl-prop-2-enylidene]hydrazino]-7-(2-hydroxy-3-isopropoxy-propyl)-3-methyl-xanthine Formula: C21H25BrN6O4 MolecularWeight: 505.365

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC(CN1C2=C(N=C1NN=CC(=CC3=CC=CC=C3)Br)N(C(=O)NC2=O)C)O

Isomeric SMILES

CC(C)OCC(CN1C2=C(N=C1N/N=C/C(=C/C3=CC=CC=C3)/Br)N(C(=O)NC2=O)C)O

InChI

InChI=1S/C21H25BrN6O4/c1-13(2)32-12-16(29)11-28-17-18(27(3)21(31)25-19(17)30)24-20(28)26-23-10-15(22)9-14-7-5-4-6-8-14/h4-10,13,16,29H,11-12H2,1-3H3,(H,24,26)(H,25,30,31)/b15-9-,23-10+