2-(6-chloranyl-2-phenyl-quinazolin-4-yl)sulfanyl-1-piperidin-1-yl-ethanone

Systemtic Name: 2-(6-chloranyl-2-phenyl-quinazolin-4-yl)sulfanyl-1-piperidin-1-yl-ethanone Openeye Name: 2-(6-chloro-2-phenyl-quinazolin-4-yl)sulfanyl-1-(1-piperidyl)ethanone CAS Name: 2-[(6-chloro-2-phenyl-4-quinazolinyl)thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-(6-chloro-2-phenylquinazolin-4-yl)sulfanyl-1-piperidin-1-ylethanone Traditional Name: 2-[(6-chloro-2-phenyl-quinazolin-4-yl)thio]-1-piperidino-ethanone Formula: C21H20ClN3OS MolecularWeight: 397.921

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC(=NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC(=NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H20ClN3OS/c22-16-9-10-18-17(13-16)21(24-20(23-18)15-7-3-1-4-8-15)27-14-19(26)25-11-5-2-6-12-25/h1,3-4,7-10,13H,2,5-6,11-12,14H2