2-[4-[(phenylmethyl)amino]quinazolin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-[(phenylmethyl)amino]quinazolin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(benzylamino)quinazolin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[4-[(phenylmethyl)amino]-2-quinazolinyl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[4-(benzylamino)quinazolin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-(benzylamino)quinazolin-2-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C27H27N5OS MolecularWeight: 469.60118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C(=N3)NCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C(=N3)NCC5=CC=CC=C5

InChI

InChI=1S/C27H27N5OS/c33-25(32-17-15-31(16-18-32)22-11-5-2-6-12-22)20-34-27-29-24-14-8-7-13-23(24)26(30-27)28-19-21-9-3-1-4-10-21/h1-14H,15-20H2,(H,28,29,30)