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

Systemtic Name: 8-bromanyl-9-[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 9-[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-8-bromo-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-9-[2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 9-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-8-bromo-1,3-dimethylpurine-2,6-dione Traditional Name: 9-[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]-8-bromo-1,3-dimethyl-xanthine Formula: C22H22BrN5O3 MolecularWeight: 484.34578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3C4=C(C(=O)N(C(=O)N4C)C)N=C3Br

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3C4=C(C(=O)N(C(=O)N4C)C)N=C3Br

InChI

InChI=1S/C22H22BrN5O3/c1-13-10-16(14(2)27(13)11-15-8-6-5-7-9-15)17(29)12-28-19-18(24-21(28)23)20(30)26(4)22(31)25(19)3/h5-10H,11-12H2,1-4H3