7-[3,4-bis(oxidanyl)butyl]-1,3-dibutyl-purine-2,6-dione

Systemtic Name: 7-[3,4-bis(oxidanyl)butyl]-1,3-dibutyl-purine-2,6-dione Openeye Name: 1,3-dibutyl-7-(3,4-dihydroxybutyl)purine-2,6-dione CAS Name: 1,3-dibutyl-7-(3,4-dihydroxybutyl)purine-2,6-dione IUPAC Name: 1,3-dibutyl-7-(3,4-dihydroxybutyl)purine-2,6-dione Traditional Name: 1,3-dibutyl-7-(3,4-dihydroxybutyl)xanthine Formula: C17H28N4O4 MolecularWeight: 352.42862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O4/c1-3-5-8-20-15-14(16(24)21(17(20)25)9-6-4-2)19(12-18-15)10-7-13(23)11-22/h12-13,22-23H,3-11H2,1-2H3