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

Systemtic Name: 8-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-3-propyl-7H-purine-2,6-dione Openeye Name: 8-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-3-propyl-7H-purine-2,6-dione CAS Name: 8-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-3-propyl-7H-purine-2,6-dione IUPAC Name: 8-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-3-propyl-7H-purine-2,6-dione Traditional Name: 8-[5-(4-methylpiperazino)sulfonyl-2-propoxy-phenyl]-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)NC1=O)NC(=N2)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCCC

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)NC(=N2)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCCC

InChI

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