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

Systemtic Name: 8-[5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-propoxy-phenyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Openeye Name: 8-[5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-propoxy-phenyl]-3-isobutyl-1-methyl-7H-purine-2,6-dione CAS Name: 8-[5-[[4-(2-hydroxyethyl)-1-piperazinyl]sulfonyl]-2-propoxyphenyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 8-[5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-propoxyphenyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 8-[5-[4-(2-hydroxyethyl)piperazino]sulfonyl-2-propoxy-phenyl]-3-isobutyl-1-methyl-7H-purine-2,6-quinone Formula: C25H36N6O6S MolecularWeight: 548.65494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(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)N2CCN(CC2)CCO)C3=NC4=C(N3)C(=O)N(C(=O)N4CC(C)C)C

InChI

InChI=1S/C25H36N6O6S/c1-5-14-37-20-7-6-18(38(35,36)30-10-8-29(9-11-30)12-13-32)15-19(20)22-26-21-23(27-22)31(16-17(2)3)25(34)28(4)24(21)33/h6-7,15,17,32H,5,8-14,16H2,1-4H3,(H,26,27)