2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-6-methyl-pyrimidin-4-amine

Systemtic Name: 2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-6-methyl-pyrimidin-4-amine Openeye Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-6-methyl-pyrimidin-4-amine CAS Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-6-methyl-4-pyrimidinamine IUPAC Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-6-methylpyrimidin-4-amine Traditional Name: [2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-6-methyl-pyrimidin-4-yl]amine Formula: C14H14BrN3O2S MolecularWeight: 368.24886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC3=C(C=C2Br)OCCO3)N

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC3=C(C=C2Br)OCCO3)N

InChI

InChI=1S/C14H14BrN3O2S/c1-8-4-13(16)18-14(17-8)21-7-9-5-11-12(6-10(9)15)20-3-2-19-11/h4-6H,2-3,7H2,1H3,(H2,16,17,18)