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

Systemtic Name: 2-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-9-propyl-3H-purin-6-one Openeye Name: 2-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-9-propyl-3H-purin-6-one CAS Name: 2-[5-[(4-ethyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-9-propyl-3H-purin-6-one IUPAC Name: 2-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-9-propyl-3H-purin-6-one Traditional Name: 2-[5-(4-ethylpiperazino)sulfonyl-2-propoxy-phenyl]-9-propyl-3H-purin-6-one Formula: C23H32N6O4S MolecularWeight: 488.60298

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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)CC)OCCC

Isomeric SMILES

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

InChI

InChI=1S/C23H32N6O4S/c1-4-9-28-16-24-20-22(28)25-21(26-23(20)30)18-15-17(7-8-19(18)33-14-5-2)34(31,32)29-12-10-27(6-3)11-13-29/h7-8,15-16H,4-6,9-14H2,1-3H3,(H,25,26,30)