2-[[2-(5-bromanyl-2-methoxy-phenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-6-pyridin-4-yl-1H-pyrimidin-4-one

Systemtic Name: 2-[[2-(5-bromanyl-2-methoxy-phenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-6-pyridin-4-yl-1H-pyrimidin-4-one Openeye Name: 2-[[2-(5-bromo-2-methoxy-phenyl)-5-methyl-oxazol-4-yl]methylsulfanyl]-6-(4-pyridyl)-1H-pyrimidin-4-one CAS Name: 2-[[2-(5-bromo-2-methoxyphenyl)-5-methyl-4-oxazolyl]methylthio]-6-pyridin-4-yl-1H-pyrimidin-4-one IUPAC Name: 2-[[2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-6-pyridin-4-yl-1H-pyrimidin-4-one Traditional Name: 2-[[2-(5-bromo-2-methoxy-phenyl)-5-methyl-oxazol-4-yl]methylthio]-6-(4-pyridyl)-1H-pyrimidin-4-one Formula: C21H17BrN4O3S MolecularWeight: 485.35368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=C(C=CC(=C2)Br)OC)CSC3=NC(=O)C=C(N3)C4=CC=NC=C4

Isomeric SMILES

CC1=C(N=C(O1)C2=C(C=CC(=C2)Br)OC)CSC3=NC(=O)C=C(N3)C4=CC=NC=C4

InChI

InChI=1S/C21H17BrN4O3S/c1-12-17(24-20(29-12)15-9-14(22)3-4-18(15)28-2)11-30-21-25-16(10-19(27)26-21)13-5-7-23-8-6-13/h3-10H,11H2,1-2H3,(H,25,26,27)