3-(2,5-dimethylphenyl)-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(2,5-dimethylphenyl)-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]quinazolin-4-one Openeye Name: 3-(2,5-dimethylphenyl)-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]quinazolin-4-one CAS Name: 3-(2,5-dimethylphenyl)-2-[[(4R)-1,3-dioxan-4-yl]methylthio]-4-quinazolinone IUPAC Name: 3-(2,5-dimethylphenyl)-2-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-(2,5-dimethylphenyl)-2-[[(4R)-1,3-dioxan-4-yl]methylthio]quinazolin-4-one Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC4CCOCO4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)C3=CC=CC=C3N=C2SC[C@H]4CCOCO4

InChI

InChI=1S/C21H22N2O3S/c1-14-7-8-15(2)19(11-14)23-20(24)17-5-3-4-6-18(17)22-21(23)27-12-16-9-10-25-13-26-16/h3-8,11,16H,9-10,12-13H2,1-2H3/t16-/m1/s1