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

Systemtic Name: [4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone Openeye Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(3-methylbenzothiophen-2-yl)methanone CAS Name: [4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-(3-methyl-1-benzothiophen-2-yl)methanone IUPAC Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone Traditional Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-(3-methylbenzothiophen-2-yl)methanone Formula: C23H23N5OS MolecularWeight: 417.52662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C23H23N5OS/c1-15-16-6-3-5-9-19(16)30-21(15)23(29)28-12-10-27(11-13-28)14-20-25-18-8-4-2-7-17(18)22(24)26-20/h2-9H,10-14H2,1H3,(H2,24,25,26)