3-(3,4-dimethoxyphenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3,4-dimethoxyphenyl)-2-[[(2R)-tetrahydrofuran-2-yl]methylsulfanyl]quinazolin-4-one CAS Name: 3-(3,4-dimethoxyphenyl)-2-[[(2R)-2-oxolanyl]methylthio]-4-quinazolinone IUPAC Name: 3-(3,4-dimethoxyphenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3,4-dimethoxyphenyl)-2-[[(2R)-tetrahydrofuran-2-yl]methylthio]quinazolin-4-one Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4CCCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC[C@H]4CCCO4)OC

InChI

InChI=1S/C21H22N2O4S/c1-25-18-10-9-14(12-19(18)26-2)23-20(24)16-7-3-4-8-17(16)22-21(23)28-13-15-6-5-11-27-15/h3-4,7-10,12,15H,5-6,11,13H2,1-2H3/t15-/m1/s1