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

Systemtic Name: 2-[4-[1,3-benzodioxol-5-yl(methyl)amino]-6-propyl-pyrimidin-2-yl]sulfanylethanenitrile Openeye Name: 2-[4-[1,3-benzodioxol-5-yl(methyl)amino]-6-propyl-pyrimidin-2-yl]sulfanylacetonitrile CAS Name: 2-[[4-[1,3-benzodioxol-5-yl(methyl)amino]-6-propyl-2-pyrimidinyl]thio]acetonitrile IUPAC Name: 2-[4-[1,3-benzodioxol-5-yl(methyl)amino]-6-propylpyrimidin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[4-[1,3-benzodioxol-5-yl(methyl)amino]-6-propyl-pyrimidin-2-yl]thio]acetonitrile Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC#N)N(C)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC#N)N(C)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H18N4O2S/c1-3-4-12-9-16(20-17(19-12)24-8-7-18)21(2)13-5-6-14-15(10-13)23-11-22-14/h5-6,9-10H,3-4,8,11H2,1-2H3