7-[2-[2,5-dimethyl-1-(1-phenylethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-[2,5-dimethyl-1-(1-phenylethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[2,5-dimethyl-1-(1-phenylethyl)pyrrol-3-yl]-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[2,5-dimethyl-1-(1-phenylethyl)-3-pyrrolyl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[2,5-dimethyl-1-(1-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[2,5-dimethyl-1-(1-phenylethyl)pyrrol-3-yl]-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C2=CC=CC=C2)C)C(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=CC(=C(N1C(C)C2=CC=CC=C2)C)C(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C23H25N5O3/c1-14-11-18(16(3)28(14)15(2)17-9-7-6-8-10-17)19(29)12-27-13-24-21-20(27)22(30)26(5)23(31)25(21)4/h6-11,13,15H,12H2,1-5H3