4-[5-fluoranyl-2-[[9-[(4-methylsulfonylphenyl)methyl]-8-oxidanylidene-purin-7-yl]methyl]benzimidazol-1-yl]butanenitrile

Systemtic Name: 4-[5-fluoranyl-2-[[9-[(4-methylsulfonylphenyl)methyl]-8-oxidanylidene-purin-7-yl]methyl]benzimidazol-1-yl]butanenitrile Openeye Name: 4-[5-fluoro-2-[[9-[(4-methylsulfonylphenyl)methyl]-8-oxo-purin-7-yl]methyl]benzimidazol-1-yl]butanenitrile CAS Name: 4-[5-fluoro-2-[[9-[(4-methylsulfonylphenyl)methyl]-8-oxo-7-purinyl]methyl]-1-benzimidazolyl]butanenitrile IUPAC Name: 4-[5-fluoro-2-[[9-[(4-methylsulfonylphenyl)methyl]-8-oxopurin-7-yl]methyl]benzimidazol-1-yl]butanenitrile Traditional Name: 4-[5-fluoro-2-[[8-keto-9-(4-mesylbenzyl)purin-7-yl]methyl]benzimidazol-1-yl]butyronitrile Formula: C25H22FN7O3S MolecularWeight: 519.550683

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2C3=NC=NC=C3N(C2=O)CC4=NC5=C(N4CCCC#N)C=CC(=C5)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2C3=NC=NC=C3N(C2=O)CC4=NC5=C(N4CCCC#N)C=CC(=C5)F

InChI

InChI=1S/C25H22FN7O3S/c1-37(35,36)19-7-4-17(5-8-19)14-33-24-22(13-28-16-29-24)32(25(33)34)15-23-30-20-12-18(26)6-9-21(20)31(23)11-3-2-10-27/h4-9,12-13,16H,2-3,11,14-15H2,1H3