3-[7-[2,6-bis(fluoranyl)phenyl]-9-cyclopropyl-8-oxidanylidene-purin-2-yl]sulfonyl-N-cyclopropyl-4-methyl-benzamide

Systemtic Name: 3-[7-[2,6-bis(fluoranyl)phenyl]-9-cyclopropyl-8-oxidanylidene-purin-2-yl]sulfonyl-N-cyclopropyl-4-methyl-benzamide Openeye Name: N-cyclopropyl-3-[9-cyclopropyl-7-(2,6-difluorophenyl)-8-oxo-purin-2-yl]sulfonyl-4-methyl-benzamide CAS Name: N-cyclopropyl-3-[[9-cyclopropyl-7-(2,6-difluorophenyl)-8-oxo-2-purinyl]sulfonyl]-4-methylbenzamide IUPAC Name: N-cyclopropyl-3-[9-cyclopropyl-7-(2,6-difluorophenyl)-8-oxopurin-2-yl]sulfonyl-4-methylbenzamide Traditional Name: N-cyclopropyl-3-[9-cyclopropyl-7-(2,6-difluorophenyl)-8-keto-purin-2-yl]sulfonyl-4-methyl-benzamide Formula: C25H21F2N5O4S MolecularWeight: 525.527146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)S(=O)(=O)C3=NC=C4C(=N3)N(C(=O)N4C5=C(C=CC=C5F)F)C6CC6

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)S(=O)(=O)C3=NC=C4C(=N3)N(C(=O)N4C5=C(C=CC=C5F)F)C6CC6

InChI

InChI=1S/C25H21F2N5O4S/c1-13-5-6-14(23(33)29-15-7-8-15)11-20(13)37(35,36)24-28-12-19-22(30-24)31(16-9-10-16)25(34)32(19)21-17(26)3-2-4-18(21)27/h2-6,11-12,15-16H,7-10H2,1H3,(H,29,33)