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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-propyl-purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-propyl-purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-propylpurine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-propylpurine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-propyl-xanthine Formula: C10H13ClN4O2 MolecularWeight: 256.68882

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C10H13ClN4O2/c1-4-5-15-6-7(12-9(15)11)13(2)10(17)14(3)8(6)16/h4-5H2,1-3H3