8-[(E)-2-(4,5-dimethoxy-2-piperidin-1-ylsulfonyl-phenyl)ethenyl]-7-methyl-1,3-dipropyl-purine-2,6-dione

Systemtic Name: 8-[(E)-2-(4,5-dimethoxy-2-piperidin-1-ylsulfonyl-phenyl)ethenyl]-7-methyl-1,3-dipropyl-purine-2,6-dione Openeye Name: 8-[(E)-2-[4,5-dimethoxy-2-(1-piperidylsulfonyl)phenyl]vinyl]-7-methyl-1,3-dipropyl-purine-2,6-dione CAS Name: 8-[(E)-2-[4,5-dimethoxy-2-(1-piperidinylsulfonyl)phenyl]ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(4,5-dimethoxy-2-piperidin-1-ylsulfonylphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione Traditional Name: 8-[(E)-2-(4,5-dimethoxy-2-piperidinosulfonyl-phenyl)vinyl]-7-methyl-1,3-dipropyl-xanthine Formula: C27H37N5O6S MolecularWeight: 559.67758

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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=C3S(=O)(=O)N4CCCCC4)OC)OC)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)/C=C/C3=CC(=C(C=C3S(=O)(=O)N4CCCCC4)OC)OC)C

InChI

InChI=1S/C27H37N5O6S/c1-6-13-31-25-24(26(33)32(14-7-2)27(31)34)29(3)23(28-25)12-11-19-17-20(37-4)21(38-5)18-22(19)39(35,36)30-15-9-8-10-16-30/h11-12,17-18H,6-10,13-16H2,1-5H3/b12-11+