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

Systemtic Name: 8-[5-[4-(2-dimethylaminoethyl)piperazin-1-yl]sulfonyl-2-propoxy-phenyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Openeye Name: 8-[5-[4-(2-dimethylaminoethyl)piperazin-1-yl]sulfonyl-2-propoxy-phenyl]-3-isobutyl-1-methyl-7H-purine-2,6-dione CAS Name: 8-[5-[[4-(2-dimethylaminoethyl)-1-piperazinyl]sulfonyl]-2-propoxyphenyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 8-[5-[4-(2-dimethylaminoethyl)piperazin-1-yl]sulfonyl-2-propoxyphenyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 8-[5-[4-(2-dimethylaminoethyl)piperazino]sulfonyl-2-propoxy-phenyl]-3-isobutyl-1-methyl-7H-purine-2,6-quinone Formula: C27H41N7O5S MolecularWeight: 575.72334

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=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

CCCOC1=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/C27H41N7O5S/c1-7-16-39-22-9-8-20(40(37,38)33-14-12-32(13-15-33)11-10-30(4)5)17-21(22)24-28-23-25(29-24)34(18-19(2)3)27(36)31(6)26(23)35/h8-9,17,19H,7,10-16,18H2,1-6H3,(H,28,29)