8-chloranyl-7-(2-cyclopropylideneethyl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-chloranyl-7-(2-cyclopropylideneethyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-(2-cyclopropylideneethyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-(2-cyclopropylideneethyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-(2-cyclopropylideneethyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-(2-cyclopropylideneethyl)-1,3-dimethyl-xanthine Formula: C12H13ClN4O2 MolecularWeight: 280.71022

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC=C3CC3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC=C3CC3

InChI

InChI=1S/C12H13ClN4O2/c1-15-9-8(10(18)16(2)12(15)19)17(11(13)14-9)6-5-7-3-4-7/h5H,3-4,6H2,1-2H3