1,3-dibutyl-7-(3-chloranylpropylsulfonyl)purine-2,6-dione

Systemtic Name: 1,3-dibutyl-7-(3-chloranylpropylsulfonyl)purine-2,6-dione Openeye Name: 1,3-dibutyl-7-(3-chloropropylsulfonyl)purine-2,6-dione CAS Name: 1,3-dibutyl-7-(3-chloropropylsulfonyl)purine-2,6-dione IUPAC Name: 1,3-dibutyl-7-(3-chloropropylsulfonyl)purine-2,6-dione Traditional Name: 1,3-dibutyl-7-(3-chloropropylsulfonyl)xanthine Formula: C16H25ClN4O4S MolecularWeight: 404.9121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)S(=O)(=O)CCCCl

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)S(=O)(=O)CCCCl

InChI

InChI=1S/C16H25ClN4O4S/c1-3-5-9-19-14-13(15(22)20(16(19)23)10-6-4-2)21(12-18-14)26(24,25)11-7-8-17/h12H,3-11H2,1-2H3