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

Systemtic Name: 6-(4-hexylphenyl)-3-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-1,7a-dihydrothieno[2,3-d]pyrimidin-2-one Openeye Name: 6-(4-hexylphenyl)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,7a-dihydrothieno[2,3-d]pyrimidin-2-one CAS Name: 6-(4-hexylphenyl)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-1,7a-dihydrothieno[2,3-d]pyrimidin-2-one IUPAC Name: 6-(4-hexylphenyl)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,7a-dihydrothieno[2,3-d]pyrimidin-2-one Traditional Name: 6-(4-hexylphenyl)-3-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-1,7a-dihydrothieno[2,3-d]pyrimidin-2-one Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC3=CN(C(=O)NC3S2)C4CC(C(O4)CO)O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC3=CN(C(=O)NC3S2)[C@H]4C[C@@H]([C@H](O4)CO)O

InChI

InChI=1S/C23H30N2O4S/c1-2-3-4-5-6-15-7-9-16(10-8-15)20-11-17-13-25(23(28)24-22(17)30-20)21-12-18(27)19(14-26)29-21/h7-11,13,18-19,21-22,26-27H,2-6,12,14H2,1H3,(H,24,28)/t18-,19+,21+,22?/m0/s1