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

Systemtic Name: [4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-(2-methylsulfanylphenyl)methanone Openeye Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(2-methylsulfanylphenyl)methanone CAS Name: [4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-[2-(methylthio)phenyl]methanone IUPAC Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(2-methylsulfanylphenyl)methanone Traditional Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-[2-(methylthio)phenyl]methanone Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CSC1=CC=CC=C1C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C21H23N5OS/c1-28-18-9-5-3-7-16(18)21(27)26-12-10-25(11-13-26)14-19-23-17-8-4-2-6-15(17)20(22)24-19/h2-9H,10-14H2,1H3,(H2,22,23,24)