3-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-6-(4-octylphenyl)-1,7a-dihydrothieno[2,3-d]pyrimidin-2-one

Systemtic Name: 3-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-6-(4-octylphenyl)-1,7a-dihydrothieno[2,3-d]pyrimidin-2-one Openeye Name: 3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-(4-octylphenyl)-1,7a-dihydrothieno[2,3-d]pyrimidin-2-one CAS Name: 3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-(4-octylphenyl)-1,7a-dihydrothieno[2,3-d]pyrimidin-2-one IUPAC Name: 3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(4-octylphenyl)-1,7a-dihydrothieno[2,3-d]pyrimidin-2-one Traditional Name: 3-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-6-(4-octylphenyl)-1,7a-dihydrothieno[2,3-d]pyrimidin-2-one Formula: C25H34N2O4S MolecularWeight: 458.61346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC3=CN(C(=O)NC3S2)C4CC(C(O4)CO)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC3=CN(C(=O)NC3S2)[C@H]4C[C@@H]([C@H](O4)CO)O

InChI

InChI=1S/C25H34N2O4S/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)22-13-19-15-27(25(30)26-24(19)32-22)23-14-20(29)21(16-28)31-23/h9-13,15,20-21,23-24,28-29H,2-8,14,16H2,1H3,(H,26,30)/t20-,21+,23+,24?/m0/s1