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

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

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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)NC4CC4)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4CC4)F

InChI

InChI=1S/C21H20FN3O2S/c1-12-7-10-15(11-17(12)22)25-20(27)16-5-3-4-6-18(16)24-21(25)28-13(2)19(26)23-14-8-9-14/h3-7,10-11,13-14H,8-9H2,1-2H3,(H,23,26)