2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-one

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazolin-4-one CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-3-[[(2R)-2-oxolanyl]methyl]-4-quinazolinone IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-one Traditional Name: 2-(piperonylthio)-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazolin-4-one Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@@H](OC1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H20N2O4S/c24-20-16-5-1-2-6-17(16)22-21(23(20)11-15-4-3-9-25-15)28-12-14-7-8-18-19(10-14)27-13-26-18/h1-2,5-8,10,15H,3-4,9,11-13H2/t15-/m1/s1