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

Systemtic Name: 8-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-(2-methylpropyl)-7H-purine-2,6-dione Openeye Name: 8-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-isobutyl-7H-purine-2,6-dione CAS Name: 8-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-3-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 8-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 8-[2-ethoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-3-isobutyl-7H-purine-2,6-quinone Formula: C22H30N6O5S MolecularWeight: 490.5758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6O5S/c1-5-33-17-7-6-15(34(31,32)27-10-8-26(4)9-11-27)12-16(17)19-23-18-20(24-19)28(13-14(2)3)22(30)25-21(18)29/h6-7,12,14H,5,8-11,13H2,1-4H3,(H,23,24)(H,25,29,30)