8-(7-methoxy-1-benzofuran-2-yl)-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione

Systemtic Name: 8-(7-methoxy-1-benzofuran-2-yl)-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione Openeye Name: 8-(7-methoxybenzofuran-2-yl)-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione CAS Name: 8-(7-methoxy-2-benzofuranyl)-7-(2-methoxyethyl)-3-propylpurine-2,6-dione IUPAC Name: 8-(7-methoxy-1-benzofuran-2-yl)-7-(2-methoxyethyl)-3-propylpurine-2,6-dione Traditional Name: 8-(7-methoxybenzofuran-2-yl)-7-(2-methoxyethyl)-3-propyl-xanthine Formula: C20H22N4O5 MolecularWeight: 398.41248

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC4=C(O3)C(=CC=C4)OC)CCOC

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC4=C(O3)C(=CC=C4)OC)CCOC

InChI

InChI=1S/C20H22N4O5/c1-4-8-24-18-15(19(25)22-20(24)26)23(9-10-27-2)17(21-18)14-11-12-6-5-7-13(28-3)16(12)29-14/h5-7,11H,4,8-10H2,1-3H3,(H,22,25,26)