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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-(3-methylbut-2-enyl)purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-(3-methylbut-2-enyl)purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-(3-methylbut-2-enyl)purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-(3-methylbut-2-enyl)purine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-(3-methylbut-2-enyl)xanthine Formula: C12H15ClN4O2 MolecularWeight: 282.7261

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C)C

InChI

InChI=1S/C12H15ClN4O2/c1-7(2)5-6-17-8-9(14-11(17)13)15(3)12(19)16(4)10(8)18/h5H,6H2,1-4H3