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

Systemtic Name: 8-[2-(5-bromanyl-2-oxidanylidene-indol-3-yl)hydrazinyl]-3-methyl-7-[3-(2-methylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 8-[2-(5-bromo-2-oxo-indol-3-yl)hydrazino]-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 8-[(5-bromo-2-oxo-3-indolyl)hydrazo]-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-[2-(5-bromo-2-oxoindol-3-yl)hydrazinyl]-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methylpurine-2,6-dione Traditional Name: 8-[N'-(5-bromo-2-keto-indol-3-yl)hydrazino]-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-xanthine Formula: C24H22BrN7O5 MolecularWeight: 568.37938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CN2C3=C(N=C2NNC4=C5C=C(C=CC5=NC4=O)Br)N(C(=O)NC3=O)C)O

Isomeric SMILES

CC1=CC=CC=C1OCC(CN2C3=C(N=C2NNC4=C5C=C(C=CC5=NC4=O)Br)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C24H22BrN7O5/c1-12-5-3-4-6-17(12)37-11-14(33)10-32-19-20(31(2)24(36)28-22(19)35)27-23(32)30-29-18-15-9-13(25)7-8-16(15)26-21(18)34/h3-9,14,33H,10-11H2,1-2H3,(H,27,30)(H,26,29,34)(H,28,35,36)