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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]purine-2,6-dione Traditional Name: 8-chloro-7-[2-keto-2-(1H-pyrrol-2-yl)ethyl]-1,3-dimethyl-xanthine Formula: C13H12ClN5O3 MolecularWeight: 321.71908

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)C3=CC=CN3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)C3=CC=CN3

InChI

InChI=1S/C13H12ClN5O3/c1-17-10-9(11(21)18(2)13(17)22)19(12(14)16-10)6-8(20)7-4-3-5-15-7/h3-5,15H,6H2,1-2H3