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

Systemtic Name: 3-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]-(pyridin-3-ylmethyl)amino]propanenitrile Openeye Name: 3-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-(3-pyridylmethyl)amino]propanenitrile CAS Name: 3-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]-(3-pyridinylmethyl)amino]propanenitrile IUPAC Name: 3-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]-(pyridin-3-ylmethyl)amino]propanenitrile Traditional Name: 3-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-(3-pyridylmethyl)amino]propionitrile Formula: C19H16ClN7O2 MolecularWeight: 409.82904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN(CCC#N)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CN=C1)CN(CCC#N)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H16ClN7O2/c20-15-4-6-16(7-5-15)24-19-23-12-17(27(28)29)18(25-19)26(10-2-8-21)13-14-3-1-9-22-11-14/h1,3-7,9,11-12H,2,10,13H2,(H,23,24,25)