1,3-diethyl-8-[(E)-2-[3-methoxy-4-(methoxymethoxy)phenyl]ethenyl]-7-methyl-purine-2,6-dione

Systemtic Name: 1,3-diethyl-8-[(E)-2-[3-methoxy-4-(methoxymethoxy)phenyl]ethenyl]-7-methyl-purine-2,6-dione Openeye Name: 1,3-diethyl-8-[(E)-2-[3-methoxy-4-(methoxymethoxy)phenyl]vinyl]-7-methyl-purine-2,6-dione CAS Name: 1,3-diethyl-8-[(E)-2-[3-methoxy-4-(methoxymethoxy)phenyl]ethenyl]-7-methylpurine-2,6-dione IUPAC Name: 1,3-diethyl-8-[(E)-2-[3-methoxy-4-(methoxymethoxy)phenyl]ethenyl]-7-methylpurine-2,6-dione Traditional Name: 1,3-diethyl-8-[(E)-2-[3-methoxy-4-(methoxymethoxy)phenyl]vinyl]-7-methyl-xanthine Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)C=CC3=CC(=C(C=C3)OCOC)OC)C

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)/C=C/C3=CC(=C(C=C3)OCOC)OC)C

InChI

InChI=1S/C21H26N4O5/c1-6-24-19-18(20(26)25(7-2)21(24)27)23(3)17(22-19)11-9-14-8-10-15(30-13-28-4)16(12-14)29-5/h8-12H,6-7,13H2,1-5H3/b11-9+