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

Systemtic Name: 6-(4-heptylphenyl)-3-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-1,7a-dihydrothieno[2,3-d]pyrimidin-2-one Openeye Name: 6-(4-heptylphenyl)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,7a-dihydrothieno[2,3-d]pyrimidin-2-one CAS Name: 6-(4-heptylphenyl)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-1,7a-dihydrothieno[2,3-d]pyrimidin-2-one IUPAC Name: 6-(4-heptylphenyl)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,7a-dihydrothieno[2,3-d]pyrimidin-2-one Traditional Name: 6-(4-heptylphenyl)-3-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-1,7a-dihydrothieno[2,3-d]pyrimidin-2-one Formula: C24H32N2O4S MolecularWeight: 444.58688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC3=CN(C(=O)NC3S2)C4CC(C(O4)CO)O

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC3=CN(C(=O)NC3S2)[C@H]4C[C@@H]([C@H](O4)CO)O

InChI

InChI=1S/C24H32N2O4S/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)21-12-18-14-26(24(29)25-23(18)31-21)22-13-19(28)20(15-27)30-22/h8-12,14,19-20,22-23,27-28H,2-7,13,15H2,1H3,(H,25,29)/t19-,20+,22+,23?/m0/s1