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

Systemtic Name: 1,3-dibutyl-7-(3-oxidanylbutyl)purine-2,6-dione Openeye Name: 1,3-dibutyl-7-(3-hydroxybutyl)purine-2,6-dione CAS Name: 1,3-dibutyl-7-(3-hydroxybutyl)purine-2,6-dione IUPAC Name: 1,3-dibutyl-7-(3-hydroxybutyl)purine-2,6-dione Traditional Name: 1,3-dibutyl-7-(3-hydroxybutyl)xanthine Formula: C17H28N4O3 MolecularWeight: 336.42922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O3/c1-4-6-9-20-15-14(19(12-18-15)11-8-13(3)22)16(23)21(17(20)24)10-7-5-2/h12-13,22H,4-11H2,1-3H3