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

Systemtic Name: 2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-3-(4-ethoxyphenyl)quinazolin-4-one Openeye Name: 2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-3-(4-ethoxyphenyl)quinazolin-4-one CAS Name: 2-[[(4R)-1,3-dioxan-4-yl]methylthio]-3-(4-ethoxyphenyl)-4-quinazolinone IUPAC Name: 2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-3-(4-ethoxyphenyl)quinazolin-4-one Traditional Name: 2-[[(4R)-1,3-dioxan-4-yl]methylthio]-3-p-phenetyl-quinazolin-4-one Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4CCOCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC[C@H]4CCOCO4

InChI

InChI=1S/C21H22N2O4S/c1-2-26-16-9-7-15(8-10-16)23-20(24)18-5-3-4-6-19(18)22-21(23)28-13-17-11-12-25-14-27-17/h3-10,17H,2,11-14H2,1H3/t17-/m1/s1