8-bromanyl-9-[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-9-[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-9-[2-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-9-[2-[2,5-dimethyl-1-(3-methylbutyl)-3-pyrrolyl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-9-[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-9-[2-(1-isoamyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C20H26BrN5O3 MolecularWeight: 464.35614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(C)C)C)C(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br

Isomeric SMILES

CC1=CC(=C(N1CCC(C)C)C)C(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br

InChI

InChI=1S/C20H26BrN5O3/c1-11(2)7-8-25-12(3)9-14(13(25)4)15(27)10-26-17-16(22-19(26)21)18(28)24(6)20(29)23(17)5/h9,11H,7-8,10H2,1-6H3