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

Systemtic Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[(7-ethyl-4-methyl-quinazolin-2-yl)amino]-1H-pyrimidin-4-one Openeye Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[(7-ethyl-4-methyl-quinazolin-2-yl)amino]-1H-pyrimidin-4-one CAS Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-2-[(7-ethyl-4-methyl-2-quinazolinyl)amino]-1H-pyrimidin-4-one IUPAC Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[(7-ethyl-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Traditional Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-2-[(7-ethyl-4-methyl-quinazolin-2-yl)amino]-1H-pyrimidin-4-one Formula: C23H20N6OS2 MolecularWeight: 460.5745

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=NC(=N2)NC3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5S4)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=NC(=N2)NC3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5S4)C

InChI

InChI=1S/C23H20N6OS2/c1-3-14-8-9-16-13(2)24-21(26-18(16)10-14)29-22-25-15(11-20(30)28-22)12-31-23-27-17-6-4-5-7-19(17)32-23/h4-11H,3,12H2,1-2H3,(H2,24,25,26,28,29,30)