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

Systemtic Name: 8-[2-(5-bromanyl-2-oxidanylidene-indol-3-yl)hydrazinyl]-1,3-dimethyl-7-propyl-purine-2,6-dione Openeye Name: 8-[2-(5-bromo-2-oxo-indol-3-yl)hydrazino]-1,3-dimethyl-7-propyl-purine-2,6-dione CAS Name: 8-[(5-bromo-2-oxo-3-indolyl)hydrazo]-1,3-dimethyl-7-propylpurine-2,6-dione IUPAC Name: 8-[2-(5-bromo-2-oxoindol-3-yl)hydrazinyl]-1,3-dimethyl-7-propylpurine-2,6-dione Traditional Name: 8-[N'-(5-bromo-2-keto-indol-3-yl)hydrazino]-1,3-dimethyl-7-propyl-xanthine Formula: C18H18BrN7O3 MolecularWeight: 460.28462

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1NNC3=C4C=C(C=CC4=NC3=O)Br)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1NNC3=C4C=C(C=CC4=NC3=O)Br)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H18BrN7O3/c1-4-7-26-13-14(24(2)18(29)25(3)16(13)28)21-17(26)23-22-12-10-8-9(19)5-6-11(10)20-15(12)27/h5-6,8H,4,7H2,1-3H3,(H,21,23)(H,20,22,27)