N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-[(3-fluorophenyl)methyl]-N-methyl-2-[[4-(methylamino)-2-quinazolinyl]thio]propanamide IUPAC Name: N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-(methylamino)quinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(3-fluorobenzyl)-N-methyl-2-[[4-(methylamino)quinazolin-2-yl]thio]propionamide Formula: C20H21FN4OS MolecularWeight: 384.470343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC(=CC=C1)F)SC2=NC3=CC=CC=C3C(=N2)NC

Isomeric SMILES

CC(C(=O)N(C)CC1=CC(=CC=C1)F)SC2=NC3=CC=CC=C3C(=N2)NC

InChI

InChI=1S/C20H21FN4OS/c1-13(19(26)25(3)12-14-7-6-8-15(21)11-14)27-20-23-17-10-5-4-9-16(17)18(22-2)24-20/h4-11,13H,12H2,1-3H3,(H,22,23,24)