1,3-dibutyl-7-(3-chloranylpropoxy)-8-methyl-purine-2,6-dione

Systemtic Name: 1,3-dibutyl-7-(3-chloranylpropoxy)-8-methyl-purine-2,6-dione Openeye Name: 1,3-dibutyl-7-(3-chloropropoxy)-8-methyl-purine-2,6-dione CAS Name: 1,3-dibutyl-7-(3-chloropropoxy)-8-methylpurine-2,6-dione IUPAC Name: 1,3-dibutyl-7-(3-chloropropoxy)-8-methylpurine-2,6-dione Traditional Name: 1,3-dibutyl-7-(3-chloropropoxy)-8-methyl-xanthine Formula: C17H27ClN4O3 MolecularWeight: 370.87428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C(=N2)C)OCCCCl

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C(=N2)C)OCCCCl

InChI

InChI=1S/C17H27ClN4O3/c1-4-6-10-20-15-14(16(23)21(17(20)24)11-7-5-2)22(13(3)19-15)25-12-8-9-18/h4-12H2,1-3H3