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

Systemtic Name: 8-[(E)-2-[3-methoxy-4-(methoxymethoxy)phenyl]ethenyl]-7-methyl-1,3-dipropyl-purine-2,6-dione Openeye Name: 8-[(E)-2-[3-methoxy-4-(methoxymethoxy)phenyl]vinyl]-7-methyl-1,3-dipropyl-purine-2,6-dione CAS Name: 8-[(E)-2-[3-methoxy-4-(methoxymethoxy)phenyl]ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione IUPAC Name: 8-[(E)-2-[3-methoxy-4-(methoxymethoxy)phenyl]ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione Traditional Name: 8-[(E)-2-[3-methoxy-4-(methoxymethoxy)phenyl]vinyl]-7-methyl-1,3-dipropyl-xanthine Formula: C23H30N4O5 MolecularWeight: 442.5081

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C=CC3=CC(=C(C=C3)OCOC)OC)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)/C=C/C3=CC(=C(C=C3)OCOC)OC)C

InChI

InChI=1S/C23H30N4O5/c1-6-12-26-21-20(22(28)27(13-7-2)23(26)29)25(3)19(24-21)11-9-16-8-10-17(32-15-30-4)18(14-16)31-5/h8-11,14H,6-7,12-13,15H2,1-5H3/b11-9+