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

Systemtic Name: [4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone Openeye Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(2-methylsulfanyl-3-pyridyl)methanone CAS Name: [4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-[2-(methylthio)-3-pyridinyl]methanone IUPAC Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(2-methylsulfanylpyridin-3-yl)methanone Traditional Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-[2-(methylthio)-3-pyridyl]methanone Formula: C20H22N6OS MolecularWeight: 394.49328

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C20H22N6OS/c1-28-19-15(6-4-8-22-19)20(27)26-11-9-25(10-12-26)13-17-23-16-7-3-2-5-14(16)18(21)24-17/h2-8H,9-13H2,1H3,(H2,21,23,24)