3-butyl-8-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-purine-2,6-dione Openeye Name: 3-butyl-8-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-purine-2,6-dione CAS Name: 3-butyl-8-(7-methoxy-1,3-benzodioxol-5-yl)-7-methylpurine-2,6-dione IUPAC Name: 3-butyl-8-(7-methoxy-1,3-benzodioxol-5-yl)-7-methylpurine-2,6-dione Traditional Name: 3-butyl-8-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-xanthine Formula: C18H20N4O5 MolecularWeight: 372.3752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC4=C(C(=C3)OC)OCO4)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC4=C(C(=C3)OC)OCO4)C

InChI

InChI=1S/C18H20N4O5/c1-4-5-6-22-16-13(17(23)20-18(22)24)21(2)15(19-16)10-7-11(25-3)14-12(8-10)26-9-27-14/h7-8H,4-6,9H2,1-3H3,(H,20,23,24)