2-[2-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]sulfanylethanamide

Systemtic Name: 2-[2-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]sulfanylethanamide Openeye Name: 2-[2-[[2-(3-pyridyl)quinazolin-4-yl]amino]phenyl]sulfanylacetamide CAS Name: 2-[[2-[[2-(3-pyridinyl)-4-quinazolinyl]amino]phenyl]thio]acetamide IUPAC Name: 2-[2-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]sulfanylacetamide Traditional Name: 2-[[2-[[2-(3-pyridyl)quinazolin-4-yl]amino]phenyl]thio]acetamide Formula: C21H17N5OS MolecularWeight: 387.45758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C3=CN=CC=C3)NC4=CC=CC=C4SCC(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C3=CN=CC=C3)NC4=CC=CC=C4SCC(=O)N

InChI

InChI=1S/C21H17N5OS/c22-19(27)13-28-18-10-4-3-9-17(18)25-21-15-7-1-2-8-16(15)24-20(26-21)14-6-5-11-23-12-14/h1-12H,13H2,(H2,22,27)(H,24,25,26)