7-(pyrimidin-2-ylsulfanylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine

Systemtic Name: 7-(pyrimidin-2-ylsulfanylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine Openeye Name: 7-(pyrimidin-2-ylsulfanylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine CAS Name: 7-[(2-pyrimidinylthio)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine IUPAC Name: 7-(pyrimidin-2-ylsulfanylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine Traditional Name: [7-[(2-pyrimidylthio)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl]amine Formula: C13H13N3O2S MolecularWeight: 275.32622

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)N)CSC3=NC=CC=N3

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)N)CSC3=NC=CC=N3

InChI

InChI=1S/C13H13N3O2S/c14-10-7-12-11(17-4-5-18-12)6-9(10)8-19-13-15-2-1-3-16-13/h1-3,6-7H,4-5,8,14H2