7-chloranyl-3-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 7-chloranyl-3-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one Openeye Name: 7-chloro-3-(2,3-dimethylphenyl)-2-[[(2R)-tetrahydrofuran-2-yl]methylsulfanyl]quinazolin-4-one CAS Name: 7-chloro-3-(2,3-dimethylphenyl)-2-[[(2R)-2-oxolanyl]methylthio]-4-quinazolinone IUPAC Name: 7-chloro-3-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one Traditional Name: 7-chloro-3-(2,3-dimethylphenyl)-2-[[(2R)-tetrahydrofuran-2-yl]methylthio]quinazolin-4-one Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4CCCO4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SC[C@H]4CCCO4)C

InChI

InChI=1S/C21H21ClN2O2S/c1-13-5-3-7-19(14(13)2)24-20(25)17-9-8-15(22)11-18(17)23-21(24)27-12-16-6-4-10-26-16/h3,5,7-9,11,16H,4,6,10,12H2,1-2H3/t16-/m1/s1