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

Systemtic Name: 2-[4-[1,3-benzodioxol-5-yl(methyl)amino]-6-phenyl-pyrimidin-2-yl]sulfanylethanenitrile Openeye Name: 2-[4-[1,3-benzodioxol-5-yl(methyl)amino]-6-phenyl-pyrimidin-2-yl]sulfanylacetonitrile CAS Name: 2-[[4-[1,3-benzodioxol-5-yl(methyl)amino]-6-phenyl-2-pyrimidinyl]thio]acetonitrile IUPAC Name: 2-[4-[1,3-benzodioxol-5-yl(methyl)amino]-6-phenylpyrimidin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[4-[1,3-benzodioxol-5-yl(methyl)amino]-6-phenyl-pyrimidin-2-yl]thio]acetonitrile Formula: C20H16N4O2S MolecularWeight: 376.43164

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC2=C(C=C1)OCO2)C3=NC(=NC(=C3)C4=CC=CC=C4)SCC#N

Isomeric SMILES

CN(C1=CC2=C(C=C1)OCO2)C3=NC(=NC(=C3)C4=CC=CC=C4)SCC#N

InChI

InChI=1S/C20H16N4O2S/c1-24(15-7-8-17-18(11-15)26-13-25-17)19-12-16(14-5-3-2-4-6-14)22-20(23-19)27-10-9-21/h2-8,11-12H,10,13H2,1H3