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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-(2-methylallyl)xanthine Formula: C11H13ClN4O2 MolecularWeight: 268.69952

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C11H13ClN4O2/c1-6(2)5-16-7-8(13-10(16)12)14(3)11(18)15(4)9(7)17/h1,5H2,2-4H3