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

Systemtic Name: 2-[4-[1,3-benzodioxol-5-yl(methyl)amino]-6-methyl-pyrimidin-2-yl]sulfanylethanenitrile Openeye Name: 2-[4-[1,3-benzodioxol-5-yl(methyl)amino]-6-methyl-pyrimidin-2-yl]sulfanylacetonitrile CAS Name: 2-[[4-[1,3-benzodioxol-5-yl(methyl)amino]-6-methyl-2-pyrimidinyl]thio]acetonitrile IUPAC Name: 2-[4-[1,3-benzodioxol-5-yl(methyl)amino]-6-methylpyrimidin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[4-[1,3-benzodioxol-5-yl(methyl)amino]-6-methyl-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)N(C)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

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

InChI

InChI=1S/C15H14N4O2S/c1-10-7-14(18-15(17-10)22-6-5-16)19(2)11-3-4-12-13(8-11)21-9-20-12/h3-4,7-8H,6,9H2,1-2H3