1-[[5-[(4-azanylquinazolin-2-yl)methylsulfanyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]methyl]azepan-2-one

Systemtic Name: 1-[[5-[(4-azanylquinazolin-2-yl)methylsulfanyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-4-(3-pyridyl)-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[5-[(4-amino-2-quinazolinyl)methylthio]-4-(3-pyridinyl)-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[5-[(4-aminoquinazolin-2-yl)methylthio]-4-(3-pyridyl)-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C23H24N8OS MolecularWeight: 460.55466

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC2=NN=C(N2C3=CN=CC=C3)SCC4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

C1CCC(=O)N(CC1)CC2=NN=C(N2C3=CN=CC=C3)SCC4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C23H24N8OS/c24-22-17-8-3-4-9-18(17)26-19(27-22)15-33-23-29-28-20(31(23)16-7-6-11-25-13-16)14-30-12-5-1-2-10-21(30)32/h3-4,6-9,11,13H,1-2,5,10,12,14-15H2,(H2,24,26,27)