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

Systemtic Name: 1,3-dimethyl-7-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1,3-dimethyl-xanthine Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C16H19N5O3/c1-9-6-11(10(2)18(9)3)12(22)7-21-8-17-14-13(21)15(23)20(5)16(24)19(14)4/h6,8H,7H2,1-5H3