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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C2C)NC3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5O4

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C2C)NC3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5O4

InChI

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