8-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-7-methyl-1,3-dipropyl-purine-2,6-dione

Systemtic Name: 8-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-7-methyl-1,3-dipropyl-purine-2,6-dione Openeye Name: 8-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)vinyl]-7-methyl-1,3-dipropyl-purine-2,6-dione CAS Name: 8-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione IUPAC Name: 8-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione Traditional Name: 8-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)vinyl]-7-methyl-1,3-dipropyl-xanthine Formula: C22H26N4O4 MolecularWeight: 410.46624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C(=C)C3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C(=C)C3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C22H26N4O4/c1-5-9-25-20-18(21(27)26(10-6-2)22(25)28)24(4)19(23-20)14(3)15-7-8-16-17(13-15)30-12-11-29-16/h7-8,13H,3,5-6,9-12H2,1-2,4H3