N-[(4-dimethylaminophenyl)methyl]-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[(4-dimethylaminophenyl)methyl]-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(4-dimethylaminophenyl)methyl]-2-[[4-(methylamino)-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-[4-(dimethylamino)benzyl]-2-[[4-(methylamino)quinazolin-2-yl]thio]acetamide Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=CC=CC=C21)SCC(=O)NCC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CNC1=NC(=NC2=CC=CC=C21)SCC(=O)NCC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C20H23N5OS/c1-21-19-16-6-4-5-7-17(16)23-20(24-19)27-13-18(26)22-12-14-8-10-15(11-9-14)25(2)3/h4-11H,12-13H2,1-3H3,(H,22,26)(H,21,23,24)