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

Systemtic Name: 8-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Openeye Name: 8-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-3-isobutyl-1-methyl-7H-purine-2,6-dione CAS Name: 8-[5-[(4-ethyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 8-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 8-[5-(4-ethylpiperazino)sulfonyl-2-propoxy-phenyl]-3-isobutyl-1-methyl-7H-purine-2,6-quinone Formula: C25H36N6O5S MolecularWeight: 532.65554

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H36N6O5S/c1-6-14-36-20-9-8-18(37(34,35)30-12-10-29(7-2)11-13-30)15-19(20)22-26-21-23(27-22)31(16-17(3)4)25(33)28(5)24(21)32/h8-9,15,17H,6-7,10-14,16H2,1-5H3,(H,26,27)