6-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-[(4,8-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one

Systemtic Name: 6-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-[(4,8-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Openeye Name: 6-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-[(4,8-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one CAS Name: 6-[(1,3-benzoxazol-2-ylthio)methyl]-2-[(4,8-dimethyl-2-quinazolinyl)amino]-1H-pyrimidin-4-one IUPAC Name: 6-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-[(4,8-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Traditional Name: 6-[(1,3-benzoxazol-2-ylthio)methyl]-2-[(4,8-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Formula: C22H18N6O2S MolecularWeight: 430.48232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(N=C2C)NC3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC=CC2=C1N=C(N=C2C)NC3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C22H18N6O2S/c1-12-6-5-7-15-13(2)23-20(27-19(12)15)28-21-24-14(10-18(29)26-21)11-31-22-25-16-8-3-4-9-17(16)30-22/h3-10H,11H2,1-2H3,(H2,23,24,26,27,28,29)