8-[(2E)-2-(5-bromanyl-2-oxidanylidene-1-propyl-indol-3-ylidene)hydrazinyl]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[(2E)-2-(5-bromanyl-2-oxidanylidene-1-propyl-indol-3-ylidene)hydrazinyl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[(2E)-2-(5-bromo-2-oxo-1-propyl-indolin-3-ylidene)hydrazino]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[(2E)-2-(5-bromo-2-oxo-1-propyl-3-indolylidene)hydrazinyl]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[(2E)-2-(5-bromo-2-oxo-1-propylindol-3-ylidene)hydrazinyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[(N'E)-N'-(5-bromo-2-keto-1-propyl-indolin-3-ylidene)hydrazino]-1,3,7-trimethyl-xanthine Formula: C19H20BrN7O3 MolecularWeight: 474.3112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)Br)C(=NNC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C)C1=O

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)Br)/C(=N\NC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C)/C1=O

InChI

InChI=1S/C19H20BrN7O3/c1-5-8-27-12-7-6-10(20)9-11(12)13(16(27)28)22-23-18-21-15-14(24(18)2)17(29)26(4)19(30)25(15)3/h6-7,9H,5,8H2,1-4H3,(H,21,23)/b22-13+