5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-methylsulfanyl-pyrimidin-4-amine

Systemtic Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-methylsulfanyl-pyrimidin-4-amine Openeye Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-methylsulfanyl-pyrimidin-4-amine CAS Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-(methylthio)-4-pyrimidinamine IUPAC Name: 5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-methylsulfanylpyrimidin-4-amine Traditional Name: [4-amino-2-(methylthio)pyrimidin-5-yl]methyl-piperonyl-amine Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)N)CNCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CSC1=NC=C(C(=N1)N)CNCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H16N4O2S/c1-21-14-17-7-10(13(15)18-14)6-16-5-9-2-3-11-12(4-9)20-8-19-11/h2-4,7,16H,5-6,8H2,1H3,(H2,15,17,18)