8-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,7-bis(2-methylpropyl)purine-2,6-dione

Systemtic Name: 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,7-bis(2-methylpropyl)purine-2,6-dione Openeye Name: 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,7-diisobutyl-purine-2,6-dione CAS Name: 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,7-bis(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,7-bis(2-methylpropyl)purine-2,6-dione Traditional Name: 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,7-diisobutyl-xanthine Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1C3=CC4=C(C=C3)OCCO4)N(C(=O)NC2=O)CC(C)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1C3=CC4=C(C=C3)OCCO4)N(C(=O)NC2=O)CC(C)C

InChI

InChI=1S/C21H26N4O4/c1-12(2)10-24-17-19(25(11-13(3)4)21(27)23-20(17)26)22-18(24)14-5-6-15-16(9-14)29-8-7-28-15/h5-6,9,12-13H,7-8,10-11H2,1-4H3,(H,23,26,27)