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

Systemtic Name: 8-[2-(5-bromanyl-2-oxidanylidene-indol-3-yl)hydrazinyl]-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione Openeye Name: 8-[2-(5-bromo-2-oxo-indol-3-yl)hydrazino]-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-[(5-bromo-2-oxo-3-indolyl)hydrazo]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-[2-(5-bromo-2-oxoindol-3-yl)hydrazinyl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-[N'-(5-bromo-2-keto-indol-3-yl)hydrazino]-7-(2-methoxyethyl)-3-methyl-xanthine Formula: C17H16BrN7O4 MolecularWeight: 462.25744

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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)CCOC

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrN7O4/c1-24-13-12(15(27)21-17(24)28)25(5-6-29-2)16(20-13)23-22-11-9-7-8(18)3-4-10(9)19-14(11)26/h3-4,7H,5-6H2,1-2H3,(H,20,23)(H,19,22,26)(H,21,27,28)