7-chloranyl-3-(2-methoxyphenyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 7-chloranyl-3-(2-methoxyphenyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one Openeye Name: 7-chloro-3-(2-methoxyphenyl)-2-[[(2R)-tetrahydropyran-2-yl]methylsulfanyl]quinazolin-4-one CAS Name: 7-chloro-3-(2-methoxyphenyl)-2-[[(2R)-2-oxanyl]methylthio]-4-quinazolinone IUPAC Name: 7-chloro-3-(2-methoxyphenyl)-2-[[(2R)-oxan-2-yl]methylsulfanyl]quinazolin-4-one Traditional Name: 7-chloro-3-(2-methoxyphenyl)-2-[[(2R)-tetrahydropyran-2-yl]methylthio]quinazolin-4-one Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4CCCCO4

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SC[C@H]4CCCCO4

InChI

InChI=1S/C21H21ClN2O3S/c1-26-19-8-3-2-7-18(19)24-20(25)16-10-9-14(22)12-17(16)23-21(24)28-13-15-6-4-5-11-27-15/h2-3,7-10,12,15H,4-6,11,13H2,1H3/t15-/m1/s1