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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C=CC3=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/c1-4-10-25-20-19(21(27)26(11-5-2)22(25)28)24(3)18(23-20)9-7-15-6-8-16-17(14-15)30-13-12-29-16/h6-9,14H,4-5,10-13H2,1-3H3/b9-7+