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

Systemtic Name: 3-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-6-(4-pentylphenyl)-1,7a-dihydrothieno[2,3-d]pyrimidin-2-one Openeye Name: 3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-(4-pentylphenyl)-1,7a-dihydrothieno[2,3-d]pyrimidin-2-one CAS Name: 3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-(4-pentylphenyl)-1,7a-dihydrothieno[2,3-d]pyrimidin-2-one IUPAC Name: 3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(4-pentylphenyl)-1,7a-dihydrothieno[2,3-d]pyrimidin-2-one Traditional Name: 6-(4-amylphenyl)-3-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-1,7a-dihydrothieno[2,3-d]pyrimidin-2-one Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC3=CN(C(=O)NC3S2)C4CC(C(O4)CO)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC3=CN(C(=O)NC3S2)[C@H]4C[C@@H]([C@H](O4)CO)O

InChI

InChI=1S/C22H28N2O4S/c1-2-3-4-5-14-6-8-15(9-7-14)19-10-16-12-24(22(27)23-21(16)29-19)20-11-17(26)18(13-25)28-20/h6-10,12,17-18,20-21,25-26H,2-5,11,13H2,1H3,(H,23,27)/t17-,18+,20+,21?/m0/s1