6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[(4,7-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one

Systemtic Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[(4,7-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Openeye Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[(4,7-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one CAS Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-2-[(4,7-dimethyl-2-quinazolinyl)amino]-1H-pyrimidin-4-one IUPAC Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[(4,7-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Traditional Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-2-[(4,7-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Formula: C22H18N6OS2 MolecularWeight: 446.54792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NC(=N2)NC3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5S4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC(=N2)NC3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5S4)C

InChI

InChI=1S/C22H18N6OS2/c1-12-7-8-15-13(2)23-20(25-17(15)9-12)28-21-24-14(10-19(29)27-21)11-30-22-26-16-5-3-4-6-18(16)31-22/h3-10H,11H2,1-2H3,(H2,23,24,25,27,28,29)