8-(chloromethyl)-7-methyl-3-propyl-purine-2,6-dione

Systemtic Name: 8-(chloromethyl)-7-methyl-3-propyl-purine-2,6-dione Openeye Name: 8-(chloromethyl)-7-methyl-3-propyl-purine-2,6-dione CAS Name: 8-(chloromethyl)-7-methyl-3-propylpurine-2,6-dione IUPAC Name: 8-(chloromethyl)-7-methyl-3-propylpurine-2,6-dione Traditional Name: 8-(chloromethyl)-7-methyl-3-propyl-xanthine Formula: C10H13ClN4O2 MolecularWeight: 256.68882

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCl)C

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCl)C

InChI

InChI=1S/C10H13ClN4O2/c1-3-4-15-8-7(9(16)13-10(15)17)14(2)6(5-11)12-8/h3-5H2,1-2H3,(H,13,16,17)