8-[5-[4-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-2-propoxy-phenyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione

Systemtic Name: 8-[5-[4-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-2-propoxy-phenyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Openeye Name: 8-[5-[[4-(2-hydroxyethyl)-1-piperidyl]sulfonyl]-2-propoxy-phenyl]-3-isobutyl-1-methyl-7H-purine-2,6-dione CAS Name: 8-[5-[[4-(2-hydroxyethyl)-1-piperidinyl]sulfonyl]-2-propoxyphenyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 8-[5-[4-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-2-propoxyphenyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 8-[5-[4-(2-hydroxyethyl)piperidino]sulfonyl-2-propoxy-phenyl]-3-isobutyl-1-methyl-7H-purine-2,6-quinone Formula: C26H37N5O6S MolecularWeight: 547.66688

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)CCO)C3=NC4=C(N3)C(=O)N(C(=O)N4CC(C)C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)CCO)C3=NC4=C(N3)C(=O)N(C(=O)N4CC(C)C)C

InChI

InChI=1S/C26H37N5O6S/c1-5-14-37-21-7-6-19(38(35,36)30-11-8-18(9-12-30)10-13-32)15-20(21)23-27-22-24(28-23)31(16-17(2)3)26(34)29(4)25(22)33/h6-7,15,17-18,32H,5,8-14,16H2,1-4H3,(H,27,28)