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

Systemtic Name: 8-chloranyl-7-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C17H20ClN5O3 MolecularWeight: 377.8254

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C)C

InChI

InChI=1S/C17H20ClN5O3/c1-6-22-9(2)7-11(10(22)3)12(24)8-23-13-14(19-16(23)18)20(4)17(26)21(5)15(13)25/h7H,6,8H2,1-5H3