8-(3-oxidanyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl)-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-(3-oxidanyl-8-oxabicyclo[3.2.1]oct-6-en-3-yl)-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-(3-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-yl)-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-(3-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-yl)-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-(3-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-yl)-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-(3-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-3-yl)-1,3-dipropyl-7H-purine-2,6-quinone Formula: C18H24N4O4 MolecularWeight: 360.40756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3(CC4C=CC(C3)O4)O

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3(CC4C=CC(C3)O4)O

InChI

InChI=1S/C18H24N4O4/c1-3-7-21-14-13(15(23)22(8-4-2)17(21)24)19-16(20-14)18(25)9-11-5-6-12(10-18)26-11/h5-6,11-12,25H,3-4,7-10H2,1-2H3,(H,19,20)