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

Systemtic Name: 8-[2-ethoxy-5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-phenyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Openeye Name: 8-[2-ethoxy-5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-phenyl]-3-isobutyl-1-methyl-7H-purine-2,6-dione CAS Name: 8-[2-ethoxy-5-[[4-(2-hydroxyethyl)-1-piperazinyl]sulfonyl]phenyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 8-[2-ethoxy-5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 8-[2-ethoxy-5-[4-(2-hydroxyethyl)piperazino]sulfonyl-phenyl]-3-isobutyl-1-methyl-7H-purine-2,6-quinone Formula: C24H34N6O6S MolecularWeight: 534.62836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C24H34N6O6S/c1-5-36-19-7-6-17(37(34,35)29-10-8-28(9-11-29)12-13-31)14-18(19)21-25-20-22(26-21)30(15-16(2)3)24(33)27(4)23(20)32/h6-7,14,16,31H,5,8-13,15H2,1-4H3,(H,25,26)