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

Systemtic Name: 6-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-[(8-ethoxy-4-methyl-quinazolin-2-yl)amino]-1H-pyrimidin-4-one Openeye Name: 6-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-[(8-ethoxy-4-methyl-quinazolin-2-yl)amino]-1H-pyrimidin-4-one CAS Name: 6-[(1,3-benzoxazol-2-ylthio)methyl]-2-[(8-ethoxy-4-methyl-2-quinazolinyl)amino]-1H-pyrimidin-4-one IUPAC Name: 6-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-4-one Traditional Name: 6-[(1,3-benzoxazol-2-ylthio)methyl]-2-[(8-ethoxy-4-methyl-quinazolin-2-yl)amino]-1H-pyrimidin-4-one Formula: C23H20N6O3S MolecularWeight: 460.5083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1N=C(N=C2C)NC3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5O4

Isomeric SMILES

CCOC1=CC=CC2=C1N=C(N=C2C)NC3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C23H20N6O3S/c1-3-31-18-10-6-7-15-13(2)24-21(28-20(15)18)29-22-25-14(11-19(30)27-22)12-33-23-26-16-8-4-5-9-17(16)32-23/h4-11H,3,12H2,1-2H3,(H2,24,25,27,28,29,30)