3-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]propanenitrile

Systemtic Name: 3-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]propanenitrile Openeye Name: 3-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-methyl-amino]propanenitrile CAS Name: 3-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]-methylamino]propanenitrile IUPAC Name: 3-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]-methylamino]propanenitrile Traditional Name: 3-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-methyl-amino]propionitrile Formula: C14H13ClN6O2 MolecularWeight: 332.74502

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl

Isomeric SMILES

CN(CCC#N)C1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H13ClN6O2/c1-20(8-2-7-16)13-12(21(22)23)9-17-14(19-13)18-11-5-3-10(15)4-6-11/h3-6,9H,2,8H2,1H3,(H,17,18,19)