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

Systemtic Name: 8-[5-[4-(2-dimethylaminoethyl)piperazin-1-yl]sulfonyl-2-ethoxy-phenyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Openeye Name: 8-[5-[4-(2-dimethylaminoethyl)piperazin-1-yl]sulfonyl-2-ethoxy-phenyl]-3-isobutyl-1-methyl-7H-purine-2,6-dione CAS Name: 8-[5-[[4-(2-dimethylaminoethyl)-1-piperazinyl]sulfonyl]-2-ethoxyphenyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 8-[5-[4-(2-dimethylaminoethyl)piperazin-1-yl]sulfonyl-2-ethoxyphenyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 8-[5-[4-(2-dimethylaminoethyl)piperazino]sulfonyl-2-ethoxy-phenyl]-3-isobutyl-1-methyl-7H-purine-2,6-quinone Formula: C26H39N7O5S MolecularWeight: 561.69676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CCN(C)C)C3=NC4=C(N3)C(=O)N(C(=O)N4CC(C)C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CCN(C)C)C3=NC4=C(N3)C(=O)N(C(=O)N4CC(C)C)C

InChI

InChI=1S/C26H39N7O5S/c1-7-38-21-9-8-19(39(36,37)32-14-12-31(13-15-32)11-10-29(4)5)16-20(21)23-27-22-24(28-23)33(17-18(2)3)26(35)30(6)25(22)34/h8-9,16,18H,7,10-15,17H2,1-6H3,(H,27,28)