2-methylsulfanyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]pyridine-3-carboxamide

Systemtic Name: 2-methylsulfanyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]pyridine-3-carboxamide Openeye Name: 2-methylsulfanyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]pyridine-3-carboxamide CAS Name: 2-(methylthio)-N-[[4-(3-phenylpropylamino)-2-quinazolinyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-methylsulfanyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]pyridine-3-carboxamide Traditional Name: 2-(methylthio)-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]nicotinamide Formula: C25H25N5OS MolecularWeight: 443.5639

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NCC2=NC3=CC=CC=C3C(=N2)NCCCC4=CC=CC=C4

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NCC2=NC3=CC=CC=C3C(=N2)NCCCC4=CC=CC=C4

InChI

InChI=1S/C25H25N5OS/c1-32-25-20(13-8-16-27-25)24(31)28-17-22-29-21-14-6-5-12-19(21)23(30-22)26-15-7-11-18-9-3-2-4-10-18/h2-6,8-10,12-14,16H,7,11,15,17H2,1H3,(H,28,31)(H,26,29,30)