3-[(3,4-dimethoxyphenyl)methyl]-2-[(3S)-2-oxidanylideneoxolan-3-yl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-[(3S)-2-oxidanylideneoxolan-3-yl]sulfanyl-quinazolin-4-one Openeye Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-[(3S)-2-oxotetrahydrofuran-3-yl]sulfanyl-quinazolin-4-one CAS Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-[[(3S)-2-oxo-3-oxolanyl]thio]-4-quinazolinone IUPAC Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-[(3S)-2-oxooxolan-3-yl]sulfanylquinazolin-4-one Traditional Name: 2-[[(3S)-2-ketotetrahydrofuran-3-yl]thio]-3-veratryl-quinazolin-4-one Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SC4CCOC4=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2S[C@H]4CCOC4=O)OC

InChI

InChI=1S/C21H20N2O5S/c1-26-16-8-7-13(11-17(16)27-2)12-23-19(24)14-5-3-4-6-15(14)22-21(23)29-18-9-10-28-20(18)25/h3-8,11,18H,9-10,12H2,1-2H3/t18-/m0/s1