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

Systemtic Name: 7-butyl-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-propyl-purine-2,6-dione Openeye Name: 7-butyl-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-propyl-purine-2,6-dione CAS Name: 7-butyl-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-propylpurine-2,6-dione IUPAC Name: 7-butyl-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-propylpurine-2,6-dione Traditional Name: 7-butyl-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-propyl-xanthine Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1C3=CC4=C(C=C3)OCCO4)N(C(=O)NC2=O)CCC

Isomeric SMILES

CCCCN1C2=C(N=C1C3=CC4=C(C=C3)OCCO4)N(C(=O)NC2=O)CCC

InChI

InChI=1S/C20H24N4O4/c1-3-5-9-23-16-18(24(8-4-2)20(26)22-19(16)25)21-17(23)13-6-7-14-15(12-13)28-11-10-27-14/h6-7,12H,3-5,8-11H2,1-2H3,(H,22,25,26)