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

Systemtic Name: 2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-9-propyl-3H-purin-6-one Openeye Name: 2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-9-propyl-3H-purin-6-one CAS Name: 2-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-9-propyl-3H-purin-6-one IUPAC Name: 2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-9-propyl-3H-purin-6-one Traditional Name: 2-[2-ethoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-9-propyl-3H-purin-6-one Formula: C21H28N6O4S MolecularWeight: 460.54982

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O4S/c1-4-8-26-14-22-18-20(26)23-19(24-21(18)28)16-13-15(6-7-17(16)31-5-2)32(29,30)27-11-9-25(3)10-12-27/h6-7,13-14H,4-5,8-12H2,1-3H3,(H,23,24,28)