[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)methanone

Systemtic Name: [4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)methanone Openeye Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(3-chloro-6-fluoro-benzothiophen-2-yl)methanone CAS Name: [4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-(3-chloro-6-fluoro-1-benzothiophen-2-yl)methanone IUPAC Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(3-chloro-6-fluoro-1-benzothiophen-2-yl)methanone Traditional Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-(3-chloro-6-fluoro-benzothiophen-2-yl)methanone Formula: C22H19ClFN5OS MolecularWeight: 455.935563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N)C(=O)C4=C(C5=C(S4)C=C(C=C5)F)Cl

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N)C(=O)C4=C(C5=C(S4)C=C(C=C5)F)Cl

InChI

InChI=1S/C22H19ClFN5OS/c23-19-15-6-5-13(24)11-17(15)31-20(19)22(30)29-9-7-28(8-10-29)12-18-26-16-4-2-1-3-14(16)21(25)27-18/h1-6,11H,7-10,12H2,(H2,25,26,27)