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

Systemtic Name: 2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one Openeye Name: 2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one CAS Name: 2-[[(4R)-1,3-dioxan-4-yl]methylthio]-3-(4-ethylphenyl)-4-quinazolinone IUPAC Name: 2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one Traditional Name: 2-[[(4R)-1,3-dioxan-4-yl]methylthio]-3-(4-ethylphenyl)quinazolin-4-one Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4CCOCO4

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC[C@H]4CCOCO4

InChI

InChI=1S/C21H22N2O3S/c1-2-15-7-9-16(10-8-15)23-20(24)18-5-3-4-6-19(18)22-21(23)27-13-17-11-12-25-14-26-17/h3-10,17H,2,11-14H2,1H3/t17-/m1/s1