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

Systemtic Name: 8-[2-(5-bromanyl-2-oxidanylidene-indol-3-yl)hydrazinyl]-7-(2-hydroxyethyl)-3-methyl-purine-2,6-dione Openeye Name: 8-[2-(5-bromo-2-oxo-indol-3-yl)hydrazino]-7-(2-hydroxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-[(5-bromo-2-oxo-3-indolyl)hydrazo]-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-[2-(5-bromo-2-oxoindol-3-yl)hydrazinyl]-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-[N'-(5-bromo-2-keto-indol-3-yl)hydrazino]-7-(2-hydroxyethyl)-3-methyl-xanthine Formula: C16H14BrN7O4 MolecularWeight: 448.23086

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC3=C4C=C(C=CC4=NC3=O)Br)CCO

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NNC3=C4C=C(C=CC4=NC3=O)Br)CCO

InChI

InChI=1S/C16H14BrN7O4/c1-23-12-11(14(27)20-16(23)28)24(4-5-25)15(19-12)22-21-10-8-6-7(17)2-3-9(8)18-13(10)26/h2-3,6,25H,4-5H2,1H3,(H,19,22)(H,18,21,26)(H,20,27,28)