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

Systemtic Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[(4-methylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Openeye Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[(4-methylquinazolin-2-yl)amino]-1H-pyrimidin-4-one CAS Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-2-[(4-methyl-2-quinazolinyl)amino]-1H-pyrimidin-4-one IUPAC Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[(4-methylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Traditional Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-2-[(4-methylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Formula: C21H16N6OS2 MolecularWeight: 432.52134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=CC=CC=C12)NC3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=NC(=NC2=CC=CC=C12)NC3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H16N6OS2/c1-12-14-6-2-3-7-15(14)24-19(22-12)27-20-23-13(10-18(28)26-20)11-29-21-25-16-8-4-5-9-17(16)30-21/h2-10H,11H2,1H3,(H2,22,23,24,26,27,28)