8-chloranyl-7-heptyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-chloranyl-7-heptyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-heptyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-heptyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-heptyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-heptyl-1,3-dimethyl-xanthine Formula: C14H21ClN4O2 MolecularWeight: 312.79514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C14H21ClN4O2/c1-4-5-6-7-8-9-19-10-11(16-13(19)15)17(2)14(21)18(3)12(10)20/h4-9H2,1-3H3