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

Systemtic Name: 8-[2-(5-bromanyl-2-oxidanylidene-indol-3-yl)hydrazinyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione Openeye Name: 8-[2-(5-bromo-2-oxo-indol-3-yl)hydrazino]-7-isopentyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[(5-bromo-2-oxo-3-indolyl)hydrazo]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 8-[2-(5-bromo-2-oxoindol-3-yl)hydrazinyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 8-[N'-(5-bromo-2-keto-indol-3-yl)hydrazino]-7-isoamyl-1,3-dimethyl-xanthine Formula: C20H22BrN7O3 MolecularWeight: 488.33778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1NNC3=C4C=C(C=CC4=NC3=O)Br)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1NNC3=C4C=C(C=CC4=NC3=O)Br)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H22BrN7O3/c1-10(2)7-8-28-15-16(26(3)20(31)27(4)18(15)30)23-19(28)25-24-14-12-9-11(21)5-6-13(12)22-17(14)29/h5-6,9-10H,7-8H2,1-4H3,(H,23,25)(H,22,24,29)