2-[4-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-pyrimidin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-pyrimidin-2-yl]sulfanylethanenitrile Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-pyrimidin-2-yl]sulfanylacetonitrile CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-2-pyrimidinyl]thio]acetonitrile IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)-6-methylpyrimidin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[4-methyl-6-(piperonylamino)pyrimidin-2-yl]thio]acetonitrile Formula: C15H14N4O2S MolecularWeight: 314.36226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC#N)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC(=NC(=N1)SCC#N)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H14N4O2S/c1-10-6-14(19-15(18-10)22-5-4-16)17-8-11-2-3-12-13(7-11)21-9-20-12/h2-3,6-7H,5,8-9H2,1H3,(H,17,18,19)