3-(3,4-dimethoxyphenyl)-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3,4-dimethoxyphenyl)-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]quinazolin-4-one CAS Name: 3-(3,4-dimethoxyphenyl)-2-[[(4R)-1,3-dioxan-4-yl]methylthio]-4-quinazolinone IUPAC Name: 3-(3,4-dimethoxyphenyl)-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3,4-dimethoxyphenyl)-2-[[(4R)-1,3-dioxan-4-yl]methylthio]quinazolin-4-one Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4CCOCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC[C@H]4CCOCO4)OC

InChI

InChI=1S/C21H22N2O5S/c1-25-18-8-7-14(11-19(18)26-2)23-20(24)16-5-3-4-6-17(16)22-21(23)29-12-15-9-10-27-13-28-15/h3-8,11,15H,9-10,12-13H2,1-2H3/t15-/m1/s1