8-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-7-propyl-3H-purin-6-one

Systemtic Name: 8-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-7-propyl-3H-purin-6-one Openeye Name: 8-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-7-propyl-3H-purin-6-one CAS Name: 8-[5-[(4-ethyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-7-propyl-3H-purin-6-one IUPAC Name: 8-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-7-propyl-3H-purin-6-one Traditional Name: 8-[5-(4-ethylpiperazino)sulfonyl-2-propoxy-phenyl]-7-propyl-3H-purin-6-one Formula: C23H32N6O4S MolecularWeight: 488.60298

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(NC=NC2=O)N=C1C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCCC

Isomeric SMILES

CCCN1C2=C(NC=NC2=O)N=C1C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCCC

InChI

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