2-(5-morpholin-4-ylsulfonyl-2-propoxy-phenyl)-9-nonan-3-yl-3H-purin-6-one

Systemtic Name: 2-(5-morpholin-4-ylsulfonyl-2-propoxy-phenyl)-9-nonan-3-yl-3H-purin-6-one Openeye Name: 9-(1-ethylheptyl)-2-(5-morpholinosulfonyl-2-propoxy-phenyl)-3H-purin-6-one CAS Name: 2-[5-(4-morpholinylsulfonyl)-2-propoxyphenyl]-9-nonan-3-yl-3H-purin-6-one IUPAC Name: 2-(5-morpholin-4-ylsulfonyl-2-propoxyphenyl)-9-nonan-3-yl-3H-purin-6-one Traditional Name: 9-(1-ethylheptyl)-2-(5-morpholinosulfonyl-2-propoxy-phenyl)-3H-purin-6-one Formula: C27H39N5O5S MolecularWeight: 545.69406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC)N1C=NC2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OCCC

Isomeric SMILES

CCCCCCC(CC)N1C=NC2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OCCC

InChI

InChI=1S/C27H39N5O5S/c1-4-7-8-9-10-20(6-3)32-19-28-24-26(32)29-25(30-27(24)33)22-18-21(11-12-23(22)37-15-5-2)38(34,35)31-13-16-36-17-14-31/h11-12,18-20H,4-10,13-17H2,1-3H3,(H,29,30,33)