6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[(4,8-dimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one

Systemtic Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[(4,8-dimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one Openeye Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[(4,8-dimethylquinazolin-2-yl)amino]hexahydropyrimidin-4-one CAS Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-2-[(4,8-dimethyl-2-quinazolinyl)amino]-1,3-diazinan-4-one IUPAC Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[(4,8-dimethylquinazolin-2-yl)amino]-1,3-diazinan-4-one Traditional Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-2-[(4,8-dimethylquinazolin-2-yl)amino]hexahydropyrimidin-4-one Formula: C22H22N6OS2 MolecularWeight: 450.57968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(N=C2C)NC3NC(CC(=O)N3)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=CC2=C1N=C(N=C2C)NC3NC(CC(=O)N3)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H22N6OS2/c1-12-6-5-7-15-13(2)23-20(27-19(12)15)28-21-24-14(10-18(29)26-21)11-30-22-25-16-8-3-4-9-17(16)31-22/h3-9,14,21,24H,10-11H2,1-2H3,(H,26,29)(H,23,27,28)