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

Systemtic Name: 6-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Openeye Name: 6-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one CAS Name: 6-[(1,3-benzoxazol-2-ylthio)methyl]-2-[(4,6,7-trimethyl-2-quinazolinyl)amino]-1H-pyrimidin-4-one IUPAC Name: 6-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Traditional Name: 6-[(1,3-benzoxazol-2-ylthio)methyl]-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Formula: C23H20N6O2S MolecularWeight: 444.5089

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NC(=N2)NC3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5O4)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=NC(=N2)NC3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5O4)C)C

InChI

InChI=1S/C23H20N6O2S/c1-12-8-16-14(3)24-21(26-18(16)9-13(12)2)29-22-25-15(10-20(30)28-22)11-32-23-27-17-6-4-5-7-19(17)31-23/h4-10H,11H2,1-3H3,(H2,24,25,26,28,29,30)