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

Systemtic Name: 8-[5-[4-(2-methoxyethyl)piperazin-1-yl]sulfonyl-2-propoxy-phenyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Openeye Name: 3-isobutyl-8-[5-[4-(2-methoxyethyl)piperazin-1-yl]sulfonyl-2-propoxy-phenyl]-1-methyl-7H-purine-2,6-dione CAS Name: 8-[5-[[4-(2-methoxyethyl)-1-piperazinyl]sulfonyl]-2-propoxyphenyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 8-[5-[4-(2-methoxyethyl)piperazin-1-yl]sulfonyl-2-propoxyphenyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 3-isobutyl-8-[5-[4-(2-methoxyethyl)piperazino]sulfonyl-2-propoxy-phenyl]-1-methyl-7H-purine-2,6-quinone Formula: C26H38N6O6S MolecularWeight: 562.68152

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H38N6O6S/c1-6-14-38-21-8-7-19(39(35,36)31-11-9-30(10-12-31)13-15-37-5)16-20(21)23-27-22-24(28-23)32(17-18(2)3)26(34)29(4)25(22)33/h7-8,16,18H,6,9-15,17H2,1-5H3,(H,27,28)