6-(4-heptylphenyl)-3-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]thieno[2,3-d]pyrimidin-2-one

Systemtic Name: 6-(4-heptylphenyl)-3-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]thieno[2,3-d]pyrimidin-2-one Openeye Name: 6-(4-heptylphenyl)-3-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]thieno[2,3-d]pyrimidin-2-one CAS Name: 6-(4-heptylphenyl)-3-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-thieno[2,3-d]pyrimidinone IUPAC Name: 6-(4-heptylphenyl)-3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]thieno[2,3-d]pyrimidin-2-one Traditional Name: 6-(4-heptylphenyl)-3-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)thieno[2,3-d]pyrimidin-2-one Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC3=CN(C(=O)N=C3S2)C4CC(C(O4)CO)O

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC3=CN(C(=O)N=C3S2)C4CC(C(O4)CO)O

InChI

InChI=1S/C24H30N2O4S/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/h8-12,14,19-20,22,27-28H,2-7,13,15H2,1H3