2-[4-(methylamino)quinazolin-2-yl]sulfanyl-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 2-[4-(methylamino)quinazolin-2-yl]sulfanyl-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 2-[4-(methylamino)quinazolin-2-yl]sulfanyl-1-pyrrolidin-1-yl-propan-1-one CAS Name: 2-[[4-(methylamino)-2-quinazolinyl]thio]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 2-[4-(methylamino)quinazolin-2-yl]sulfanyl-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 2-[[4-(methylamino)quinazolin-2-yl]thio]-1-pyrrolidino-propan-1-one Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)SC2=NC3=CC=CC=C3C(=N2)NC

Isomeric SMILES

CC(C(=O)N1CCCC1)SC2=NC3=CC=CC=C3C(=N2)NC

InChI

InChI=1S/C16H20N4OS/c1-11(15(21)20-9-5-6-10-20)22-16-18-13-8-4-3-7-12(13)14(17-2)19-16/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,17,18,19)