8-[2-(5-bromanyl-2-oxidanylidene-indol-3-yl)hydrazinyl]-7-[(Z)-3-chloranylbut-2-enyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-[2-(5-bromanyl-2-oxidanylidene-indol-3-yl)hydrazinyl]-7-[(Z)-3-chloranylbut-2-enyl]-3-methyl-purine-2,6-dione Openeye Name: 8-[2-(5-bromo-2-oxo-indol-3-yl)hydrazino]-7-[(Z)-3-chlorobut-2-enyl]-3-methyl-purine-2,6-dione CAS Name: 8-[(5-bromo-2-oxo-3-indolyl)hydrazo]-7-[(Z)-3-chlorobut-2-enyl]-3-methylpurine-2,6-dione IUPAC Name: 8-[2-(5-bromo-2-oxoindol-3-yl)hydrazinyl]-7-[(Z)-3-chlorobut-2-enyl]-3-methylpurine-2,6-dione Traditional Name: 8-[N'-(5-bromo-2-keto-indol-3-yl)hydrazino]-7-[(Z)-3-chlorobut-2-enyl]-3-methyl-xanthine Formula: C18H15BrClN7O3 MolecularWeight: 492.7138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1NNC3=C4C=C(C=CC4=NC3=O)Br)N(C(=O)NC2=O)C)Cl

Isomeric SMILES

C/C(=C/CN1C2=C(N=C1NNC3=C4C=C(C=CC4=NC3=O)Br)N(C(=O)NC2=O)C)/Cl

InChI

InChI=1S/C18H15BrClN7O3/c1-8(20)5-6-27-13-14(26(2)18(30)23-16(13)29)22-17(27)25-24-12-10-7-9(19)3-4-11(10)21-15(12)28/h3-5,7H,6H2,1-2H3,(H,22,25)(H,21,24,28)(H,23,29,30)/b8-5-