2-(2-ethoxy-5-piperazin-1-ylsulfonyl-phenyl)-9-propyl-3H-purin-6-one

Systemtic Name: 2-(2-ethoxy-5-piperazin-1-ylsulfonyl-phenyl)-9-propyl-3H-purin-6-one Openeye Name: 2-(2-ethoxy-5-piperazin-1-ylsulfonyl-phenyl)-9-propyl-3H-purin-6-one CAS Name: 2-[2-ethoxy-5-(1-piperazinylsulfonyl)phenyl]-9-propyl-3H-purin-6-one IUPAC Name: 2-(2-ethoxy-5-piperazin-1-ylsulfonylphenyl)-9-propyl-3H-purin-6-one Traditional Name: 2-(2-ethoxy-5-piperazinosulfonyl-phenyl)-9-propyl-3H-purin-6-one Formula: C20H26N6O4S MolecularWeight: 446.52324

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCNCC4)OCC

Isomeric SMILES

CCCN1C=NC2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCNCC4)OCC

InChI

InChI=1S/C20H26N6O4S/c1-3-9-25-13-22-17-19(25)23-18(24-20(17)27)15-12-14(5-6-16(15)30-4-2)31(28,29)26-10-7-21-8-11-26/h5-6,12-13,21H,3-4,7-11H2,1-2H3,(H,23,24,27)