(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]methanone

Systemtic Name: (5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]methanone Openeye Name: (5-chloro-2-methylsulfanyl-pyrimidin-4-yl)-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]methanone CAS Name: [5-chloro-2-(methylthio)-4-pyrimidinyl]-[2-[(3-ethynylphenoxy)methyl]-4-morpholinyl]methanone IUPAC Name: (5-chloro-2-methylsulfanylpyrimidin-4-yl)-[2-[(3-ethynylphenoxy)methyl]morpholin-4-yl]methanone Traditional Name: [5-chloro-2-(methylthio)pyrimidin-4-yl]-[2-[(3-ethynylphenoxy)methyl]morpholino]methanone Formula: C19H18ClN3O3S MolecularWeight: 403.88252

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)N2CCOC(C2)COC3=CC=CC(=C3)C#C)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)N2CCOC(C2)COC3=CC=CC(=C3)C#C)Cl

InChI

InChI=1S/C19H18ClN3O3S/c1-3-13-5-4-6-14(9-13)26-12-15-11-23(7-8-25-15)18(24)17-16(20)10-21-19(22-17)27-2/h1,4-6,9-10,15H,7-8,11-12H2,2H3