3-(3-fluoranyl-4-methyl-phenyl)-2-[(2S)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3-fluoranyl-4-methyl-phenyl)-2-[(2S)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3-fluoro-4-methyl-phenyl)-2-[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3-fluoro-4-methylphenyl)-2-[[(2S)-1-oxo-1-(1-pyrrolidinyl)propan-2-yl]thio]-4-quinazolinone IUPAC Name: 3-(3-fluoro-4-methylphenyl)-2-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]sulfanylquinazolin-4-one Traditional Name: 3-(3-fluoro-4-methyl-phenyl)-2-[[(1S)-2-keto-1-methyl-2-pyrrolidino-ethyl]thio]quinazolin-4-one Formula: C22H22FN3O2S MolecularWeight: 411.492383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)N4CCCC4)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2S[C@@H](C)C(=O)N4CCCC4)F

InChI

InChI=1S/C22H22FN3O2S/c1-14-9-10-16(13-18(14)23)26-21(28)17-7-3-4-8-19(17)24-22(26)29-15(2)20(27)25-11-5-6-12-25/h3-4,7-10,13,15H,5-6,11-12H2,1-2H3/t15-/m0/s1