(2R)-N-cyclopropyl-2-[3-[(4-fluorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: (2R)-N-cyclopropyl-2-[3-[(4-fluorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-cyclopropyl-2-[3-[(4-fluorophenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2R)-N-cyclopropyl-2-[[3-[(4-fluorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2R)-N-cyclopropyl-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2R)-N-cyclopropyl-2-[[3-(4-fluorobenzyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C21H20FN3O2S MolecularWeight: 397.465803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F

Isomeric SMILES

C[C@H](C(=O)NC1CC1)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F

InChI

InChI=1S/C21H20FN3O2S/c1-13(19(26)23-16-10-11-16)28-21-24-18-5-3-2-4-17(18)20(27)25(21)12-14-6-8-15(22)9-7-14/h2-9,13,16H,10-12H2,1H3,(H,23,26)/t13-/m1/s1