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

Systemtic Name: 8-[2-(5-bromanyl-2-oxidanylidene-indol-3-yl)hydrazinyl]-7-but-2-enyl-3-methyl-purine-2,6-dione Openeye Name: 8-[2-(5-bromo-2-oxo-indol-3-yl)hydrazino]-7-but-2-enyl-3-methyl-purine-2,6-dione CAS Name: 8-[(5-bromo-2-oxo-3-indolyl)hydrazo]-7-but-2-enyl-3-methylpurine-2,6-dione IUPAC Name: 8-[2-(5-bromo-2-oxoindol-3-yl)hydrazinyl]-7-but-2-enyl-3-methylpurine-2,6-dione Traditional Name: 8-[N'-(5-bromo-2-keto-indol-3-yl)hydrazino]-7-but-2-enyl-3-methyl-xanthine Formula: C18H16BrN7O3 MolecularWeight: 458.26874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN7O3/c1-3-4-7-26-13-14(25(2)18(29)22-16(13)28)21-17(26)24-23-12-10-8-9(19)5-6-11(10)20-15(12)27/h3-6,8H,7H2,1-2H3,(H,21,24)(H,20,23,27)(H,22,28,29)