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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC

InChI

InChI=1S/C22H30N6O5S/c1-5-9-28-20-18(21(29)26(4)22(28)30)23-19(24-20)16-14-15(7-8-17(16)33-6-2)34(31,32)27-12-10-25(3)11-13-27/h7-8,14H,5-6,9-13H2,1-4H3,(H,23,24)