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

Systemtic Name: 7-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C17H21N5O3 MolecularWeight: 343.38034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C17H21N5O3/c1-6-22-10(2)7-12(11(22)3)13(23)8-21-9-18-15-14(21)16(24)20(5)17(25)19(15)4/h7,9H,6,8H2,1-5H3