8-[2-[1-(2-bromoethyl)-2-oxidanylidene-indol-3-ylidene]hydrazinyl]-3-methyl-7-(3-naphthalen-2-yloxy-2-oxidanyl-propyl)purine-2,6-dione

Systemtic Name: 8-[2-[1-(2-bromoethyl)-2-oxidanylidene-indol-3-ylidene]hydrazinyl]-3-methyl-7-(3-naphthalen-2-yloxy-2-oxidanyl-propyl)purine-2,6-dione Openeye Name: 8-[2-[1-(2-bromoethyl)-2-oxo-indolin-3-ylidene]hydrazino]-7-[2-hydroxy-3-(2-naphthyloxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 8-[2-[1-(2-bromoethyl)-2-oxo-3-indolylidene]hydrazinyl]-7-[2-hydroxy-3-(2-naphthalenyloxy)propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-[2-[1-(2-bromoethyl)-2-oxoindol-3-ylidene]hydrazinyl]-7-(2-hydroxy-3-naphthalen-2-yloxypropyl)-3-methylpurine-2,6-dione Traditional Name: 8-[N'-[1-(2-bromoethyl)-2-keto-indolin-3-ylidene]hydrazino]-7-[2-hydroxy-3-(2-naphthoxy)propyl]-3-methyl-xanthine Formula: C29H26BrN7O5 MolecularWeight: 632.46464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=C3C4=CC=CC=C4N(C3=O)CCBr)CC(COC5=CC6=CC=CC=C6C=C5)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=C3C4=CC=CC=C4N(C3=O)CCBr)CC(COC5=CC6=CC=CC=C6C=C5)O

InChI

InChI=1S/C29H26BrN7O5/c1-35-25-24(26(39)32-29(35)41)37(15-19(38)16-42-20-11-10-17-6-2-3-7-18(17)14-20)28(31-25)34-33-23-21-8-4-5-9-22(21)36(13-12-30)27(23)40/h2-11,14,19,38H,12-13,15-16H2,1H3,(H,31,34)(H,32,39,41)