3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-8-[2-[(4-fluorophenyl)methoxy]propan-2-yl]-2-sulfanylidene-7H-purin-6-one

Systemtic Name: 3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-8-[2-[(4-fluorophenyl)methoxy]propan-2-yl]-2-sulfanylidene-7H-purin-6-one Openeye Name: 3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-8-[1-[(4-fluorophenyl)methoxy]-1-methyl-ethyl]-2-thioxo-7H-purin-6-one CAS Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-[2-[(4-fluorophenyl)methoxy]propan-2-yl]-2-sulfanylidene-7H-purin-6-one IUPAC Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-[2-[(4-fluorophenyl)methoxy]propan-2-yl]-2-sulfanylidene-7H-purin-6-one Traditional Name: 3-[3-(cyclopentoxy)-4-methoxy-benzyl]-8-[1-(4-fluorobenzyl)oxy-1-methyl-ethyl]-2-thioxo-7H-purin-6-one Formula: C28H31FN4O4S MolecularWeight: 538.633543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=NC2=C(N1)C(=O)NC(=S)N2CC3=CC(=C(C=C3)OC)OC4CCCC4)OCC5=CC=C(C=C5)F

Isomeric SMILES

CC(C)(C1=NC2=C(N1)C(=O)NC(=S)N2CC3=CC(=C(C=C3)OC)OC4CCCC4)OCC5=CC=C(C=C5)F

InChI

InChI=1S/C28H31FN4O4S/c1-28(2,36-16-17-8-11-19(29)12-9-17)26-30-23-24(31-26)33(27(38)32-25(23)34)15-18-10-13-21(35-3)22(14-18)37-20-6-4-5-7-20/h8-14,20H,4-7,15-16H2,1-3H3,(H,30,31)(H,32,34,38)