2-[[4-(azepan-1-yl)-2,6-dimethoxy-pyrimidin-5-yl]methylidene]propanedinitrile

Systemtic Name: 2-[[4-(azepan-1-yl)-2,6-dimethoxy-pyrimidin-5-yl]methylidene]propanedinitrile Openeye Name: 2-[[4-(azepan-1-yl)-2,6-dimethoxy-pyrimidin-5-yl]methylene]propanedinitrile CAS Name: 2-[[4-(1-azepanyl)-2,6-dimethoxy-5-pyrimidinyl]methylidene]propanedinitrile IUPAC Name: 2-[[4-(azepan-1-yl)-2,6-dimethoxypyrimidin-5-yl]methylidene]propanedinitrile Traditional Name: 2-[[4-(azepan-1-yl)-2,6-dimethoxy-pyrimidin-5-yl]methylene]malononitrile Formula: C16H19N5O2 MolecularWeight: 313.35436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1C=C(C#N)C#N)N2CCCCCC2)OC

Isomeric SMILES

COC1=NC(=NC(=C1C=C(C#N)C#N)N2CCCCCC2)OC

InChI

InChI=1S/C16H19N5O2/c1-22-15-13(9-12(10-17)11-18)14(19-16(20-15)23-2)21-7-5-3-4-6-8-21/h9H,3-8H2,1-2H3