8-methyl-2-[[5-[(2-oxidanylideneazepan-1-yl)methyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 8-methyl-2-[[5-[(2-oxidanylideneazepan-1-yl)methyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 8-methyl-2-[[5-[(2-oxoazepan-1-yl)methyl]-4-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 8-methyl-2-[[[5-[(2-oxo-1-azepanyl)methyl]-4-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 8-methyl-2-[[5-[(2-oxoazepan-1-yl)methyl]-4-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-[(2-ketoazepan-1-yl)methyl]-4-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-8-methyl-1H-quinazolin-4-one Formula: C24H25N7O2S MolecularWeight: 475.566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN=C(N3C4=CN=CC=C4)CN5CCCCCC5=O

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN=C(N3C4=CN=CC=C4)CN5CCCCCC5=O

InChI

InChI=1S/C24H25N7O2S/c1-16-7-5-9-18-22(16)26-19(27-23(18)33)15-34-24-29-28-20(31(24)17-8-6-11-25-13-17)14-30-12-4-2-3-10-21(30)32/h5-9,11,13H,2-4,10,12,14-15H2,1H3,(H,26,27,33)