2-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-one

Systemtic Name: 2-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-one Openeye Name: 2-[(5-chloro-2-methoxy-phenyl)methylsulfanyl]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazolin-4-one CAS Name: 2-[(5-chloro-2-methoxyphenyl)methylthio]-3-[[(2R)-2-oxolanyl]methyl]-4-quinazolinone IUPAC Name: 2-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-one Traditional Name: 2-[(5-chloro-2-methoxy-benzyl)thio]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazolin-4-one Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)CSC2=NC3=CC=CC=C3C(=O)N2C[C@H]4CCCO4

InChI

InChI=1S/C21H21ClN2O3S/c1-26-19-9-8-15(22)11-14(19)13-28-21-23-18-7-3-2-6-17(18)20(25)24(21)12-16-5-4-10-27-16/h2-3,6-9,11,16H,4-5,10,12-13H2,1H3/t16-/m1/s1