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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-nonyl-purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-nonyl-purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-nonylpurine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-nonylpurine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-nonyl-xanthine Formula: C16H25ClN4O2 MolecularWeight: 340.8483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H25ClN4O2/c1-4-5-6-7-8-9-10-11-21-12-13(18-15(21)17)19(2)16(23)20(3)14(12)22/h4-11H2,1-3H3