4-[[8-cyclohexyl-2,6-bis(oxidanylidene)-1-propyl-7H-purin-3-yl]methyl]benzenesulfonyl fluoride

Systemtic Name: 4-[[8-cyclohexyl-2,6-bis(oxidanylidene)-1-propyl-7H-purin-3-yl]methyl]benzenesulfonyl fluoride Openeye Name: 4-[(8-cyclohexyl-2,6-dioxo-1-propyl-7H-purin-3-yl)methyl]benzenesulfonyl fluoride CAS Name: 4-[(8-cyclohexyl-2,6-dioxo-1-propyl-7H-purin-3-yl)methyl]benzenesulfonyl fluoride IUPAC Name: 4-[(8-cyclohexyl-2,6-dioxo-1-propyl-7H-purin-3-yl)methyl]benzenesulfonyl fluoride Traditional Name: 4-[(8-cyclohexyl-2,6-diketo-1-propyl-7H-purin-3-yl)methyl]benzenesulfonyl fluoride Formula: C21H25FN4O4S MolecularWeight: 448.511003

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)C3CCCCC3)N(C1=O)CC4=CC=C(C=C4)S(=O)(=O)F

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)C3CCCCC3)N(C1=O)CC4=CC=C(C=C4)S(=O)(=O)F

InChI

InChI=1S/C21H25FN4O4S/c1-2-12-25-20(27)17-19(24-18(23-17)15-6-4-3-5-7-15)26(21(25)28)13-14-8-10-16(11-9-14)31(22,29)30/h8-11,15H,2-7,12-13H2,1H3,(H,23,24)