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

Systemtic Name: 8-[2-(5-bromanyl-3-oxidanylidene-indol-2-yl)hydrazinyl]-3-methyl-7-pentyl-purine-2,6-dione Openeye Name: 8-[2-(5-bromo-3-oxo-indol-2-yl)hydrazino]-3-methyl-7-pentyl-purine-2,6-dione CAS Name: 8-[(5-bromo-3-oxo-2-indolyl)hydrazo]-3-methyl-7-pentylpurine-2,6-dione IUPAC Name: 8-[2-(5-bromo-3-oxoindol-2-yl)hydrazinyl]-3-methyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-[N'-(5-bromo-3-keto-indol-2-yl)hydrazino]-3-methyl-xanthine Formula: C19H20BrN7O3 MolecularWeight: 474.3112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1NNC3=NC4=C(C3=O)C=C(C=C4)Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1NNC3=NC4=C(C3=O)C=C(C=C4)Br)N(C(=O)NC2=O)C

InChI

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