4-[2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-6-methyl-pyrimidin-4-yl]morpholine

Systemtic Name: 4-[2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-6-methyl-pyrimidin-4-yl]morpholine Openeye Name: 4-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-6-methyl-pyrimidin-4-yl]morpholine CAS Name: 4-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-6-methyl-4-pyrimidinyl]morpholine IUPAC Name: 4-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-yl]morpholine Traditional Name: 4-[2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-6-methyl-pyrimidin-4-yl]morpholine Formula: C17H18ClN3O3S MolecularWeight: 379.86112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC3=C(C=C2Cl)OCO3)N4CCOCC4

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC3=C(C=C2Cl)OCO3)N4CCOCC4

InChI

InChI=1S/C17H18ClN3O3S/c1-11-6-16(21-2-4-22-5-3-21)20-17(19-11)25-9-12-7-14-15(8-13(12)18)24-10-23-14/h6-8H,2-5,9-10H2,1H3