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

Systemtic Name: 7-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-3-propyl-purine-2,6-dione Openeye Name: 7-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-3-propyl-purine-2,6-dione CAS Name: 7-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-3-propylpurine-2,6-dione IUPAC Name: 7-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-3-propylpurine-2,6-dione Traditional Name: 7-[5-(4-methylpiperazino)sulfonyl-2-propoxy-phenyl]-3-propyl-xanthine Formula: C22H30N6O5S MolecularWeight: 490.5758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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