3-[2-cyanoethyl-[6-[(3,5-dimethylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]propanenitrile

Systemtic Name: 3-[2-cyanoethyl-[6-[(3,5-dimethylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[6-(3,5-dimethylanilino)-5-nitro-pyrimidin-4-yl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[6-(3,5-dimethylanilino)-5-nitro-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[6-(3,5-dimethylanilino)-5-nitropyrimidin-4-yl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[6-(3,5-dimethylanilino)-5-nitro-pyrimidin-4-yl]amino]propionitrile Formula: C18H19N7O2 MolecularWeight: 365.38916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=C(C(=NC=N2)N(CCC#N)CCC#N)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=C(C(=NC=N2)N(CCC#N)CCC#N)[N+](=O)[O-])C

InChI

InChI=1S/C18H19N7O2/c1-13-9-14(2)11-15(10-13)23-17-16(25(26)27)18(22-12-21-17)24(7-3-5-19)8-4-6-20/h9-12H,3-4,7-8H2,1-2H3,(H,21,22,23)