2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(3-fluoranyl-4-methoxy-phenyl)-N-propylsulfonyl-ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(3-fluoranyl-4-methoxy-phenyl)-N-propylsulfonyl-ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(3-fluoro-4-methoxy-phenyl)-N-propylsulfonyl-acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(3-fluoro-4-methoxyphenyl)-N-propylsulfonylacetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-fluoro-4-methoxyphenyl)-N-propylsulfonylacetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(3-fluoro-4-methoxy-phenyl)-N-propylsulfonyl-acetamide Formula: C19H22FN5O6S MolecularWeight: 467.471283

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N(C1=CC(=C(C=C1)OC)F)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCCS(=O)(=O)N(C1=CC(=C(C=C1)OC)F)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C19H22FN5O6S/c1-5-8-32(29,30)25(12-6-7-14(31-4)13(20)9-12)15(26)10-24-11-21-17-16(24)18(27)23(3)19(28)22(17)2/h6-7,9,11H,5,8,10H2,1-4H3