N-(2-chloranylpyridin-3-yl)-2-(4-phenylazanylquinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-chloranylpyridin-3-yl)-2-(4-phenylazanylquinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2-chloro-3-pyridyl)acetamide CAS Name: 2-[(4-anilino-2-quinazolinyl)thio]-N-(2-chloro-3-pyridinyl)acetamide IUPAC Name: 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-(2-chloropyridin-3-yl)acetamide Traditional Name: 2-[(4-anilinoquinazolin-2-yl)thio]-N-(2-chloro-3-pyridyl)acetamide Formula: C21H16ClN5OS MolecularWeight: 421.90264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)SCC(=O)NC4=C(N=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC3=CC=CC=C32)SCC(=O)NC4=C(N=CC=C4)Cl

InChI

InChI=1S/C21H16ClN5OS/c22-19-17(11-6-12-23-19)25-18(28)13-29-21-26-16-10-5-4-9-15(16)20(27-21)24-14-7-2-1-3-8-14/h1-12H,13H2,(H,25,28)(H,24,26,27)