4-[5-[8-cyclohexyl-2,6-bis(oxidanylidene)-1-propyl-7H-purin-3-yl]pentyl]benzenesulfonyl fluoride

Systemtic Name: 4-[5-[8-cyclohexyl-2,6-bis(oxidanylidene)-1-propyl-7H-purin-3-yl]pentyl]benzenesulfonyl fluoride Openeye Name: 4-[5-(8-cyclohexyl-2,6-dioxo-1-propyl-7H-purin-3-yl)pentyl]benzenesulfonyl fluoride CAS Name: 4-[5-(8-cyclohexyl-2,6-dioxo-1-propyl-7H-purin-3-yl)pentyl]benzenesulfonyl fluoride IUPAC Name: 4-[5-(8-cyclohexyl-2,6-dioxo-1-propyl-7H-purin-3-yl)pentyl]benzenesulfonyl fluoride Traditional Name: 4-[5-(8-cyclohexyl-2,6-diketo-1-propyl-7H-purin-3-yl)pentyl]benzenesulfonyl fluoride Formula: C25H33FN4O4S MolecularWeight: 504.617323

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)C3CCCCC3)N(C1=O)CCCCCC4=CC=C(C=C4)S(=O)(=O)F

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)C3CCCCC3)N(C1=O)CCCCCC4=CC=C(C=C4)S(=O)(=O)F

InChI

InChI=1S/C25H33FN4O4S/c1-2-16-30-24(31)21-23(28-22(27-21)19-10-6-3-7-11-19)29(25(30)32)17-8-4-5-9-18-12-14-20(15-13-18)35(26,33)34/h12-15,19H,2-11,16-17H2,1H3,(H,27,28)