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

Systemtic Name: 8-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)vinyl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)vinyl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C=CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4/c1-3-9-24-19-18(20(26)25(10-4-2)21(24)27)22-17(23-19)8-6-14-5-7-15-16(13-14)29-12-11-28-15/h5-8,13H,3-4,9-12H2,1-2H3,(H,22,23)/b8-6+