2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-9-propyl-3H-purin-6-one

Systemtic Name: 2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-9-propyl-3H-purin-6-one Openeye Name: 2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-9-propyl-3H-purin-6-one CAS Name: 2-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-9-propyl-3H-purin-6-one IUPAC Name: 2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-9-propyl-3H-purin-6-one Traditional Name: 2-[5-(4-methylpiperazino)sulfonyl-2-propoxy-phenyl]-9-propyl-3H-purin-6-one Formula: C22H30N6O4S MolecularWeight: 474.5764

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCCC

Isomeric SMILES

CCCN1C=NC2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCCC

InChI

InChI=1S/C22H30N6O4S/c1-4-8-27-15-23-19-21(27)24-20(25-22(19)29)17-14-16(6-7-18(17)32-13-5-2)33(30,31)28-11-9-26(3)10-12-28/h6-7,14-15H,4-5,8-13H2,1-3H3,(H,24,25,29)