3-[(4-fluorophenyl)methyl]-2-[[(2S)-oxan-2-yl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-[(4-fluorophenyl)methyl]-2-[[(2S)-oxan-2-yl]methylsulfanyl]quinazolin-4-one Openeye Name: 3-[(4-fluorophenyl)methyl]-2-[[(2S)-tetrahydropyran-2-yl]methylsulfanyl]quinazolin-4-one CAS Name: 3-[(4-fluorophenyl)methyl]-2-[[(2S)-2-oxanyl]methylthio]-4-quinazolinone IUPAC Name: 3-[(4-fluorophenyl)methyl]-2-[[(2S)-oxan-2-yl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-(4-fluorobenzyl)-2-[[(2S)-tetrahydropyran-2-yl]methylthio]quinazolin-4-one Formula: C21H21FN2O2S MolecularWeight: 384.467043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F

Isomeric SMILES

C1CCO[C@@H](C1)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F

InChI

InChI=1S/C21H21FN2O2S/c22-16-10-8-15(9-11-16)13-24-20(25)18-6-1-2-7-19(18)23-21(24)27-14-17-5-3-4-12-26-17/h1-2,6-11,17H,3-5,12-14H2/t17-/m0/s1