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

Systemtic Name: 6-(4-butylphenyl)-3-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-1,7a-dihydrothieno[2,3-d]pyrimidin-2-one Openeye Name: 6-(4-butylphenyl)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,7a-dihydrothieno[2,3-d]pyrimidin-2-one CAS Name: 6-(4-butylphenyl)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-1,7a-dihydrothieno[2,3-d]pyrimidin-2-one IUPAC Name: 6-(4-butylphenyl)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,7a-dihydrothieno[2,3-d]pyrimidin-2-one Traditional Name: 6-(4-butylphenyl)-3-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-1,7a-dihydrothieno[2,3-d]pyrimidin-2-one Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CC3=CN(C(=O)NC3S2)C4CC(C(O4)CO)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC3=CN(C(=O)NC3S2)[C@H]4C[C@@H]([C@H](O4)CO)O

InChI

InChI=1S/C21H26N2O4S/c1-2-3-4-13-5-7-14(8-6-13)18-9-15-11-23(21(26)22-20(15)28-18)19-10-16(25)17(12-24)27-19/h5-9,11,16-17,19-20,24-25H,2-4,10,12H2,1H3,(H,22,26)/t16-,17+,19+,20?/m0/s1