3-(2-methoxy-5-methyl-phenyl)-2-[[(2S)-oxan-2-yl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(2-methoxy-5-methyl-phenyl)-2-[[(2S)-oxan-2-yl]methylsulfanyl]quinazolin-4-one Openeye Name: 3-(2-methoxy-5-methyl-phenyl)-2-[[(2S)-tetrahydropyran-2-yl]methylsulfanyl]quinazolin-4-one CAS Name: 3-(2-methoxy-5-methylphenyl)-2-[[(2S)-2-oxanyl]methylthio]-4-quinazolinone IUPAC Name: 3-(2-methoxy-5-methylphenyl)-2-[[(2S)-oxan-2-yl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-(2-methoxy-5-methyl-phenyl)-2-[[(2S)-tetrahydropyran-2-yl]methylthio]quinazolin-4-one Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC4CCCCO4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SC[C@@H]4CCCCO4

InChI

InChI=1S/C22H24N2O3S/c1-15-10-11-20(26-2)19(13-15)24-21(25)17-8-3-4-9-18(17)23-22(24)28-14-16-7-5-6-12-27-16/h3-4,8-11,13,16H,5-7,12,14H2,1-2H3/t16-/m0/s1