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

Systemtic Name: 3-[2-cyanoethyl-[6-[(3-ethanoylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]propanenitrile Openeye Name: 3-[[6-(3-acetylanilino)-5-nitro-pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile CAS Name: 3-[[6-(3-acetylanilino)-5-nitro-4-pyrimidinyl]-(2-cyanoethyl)amino]propanenitrile IUPAC Name: 3-[[6-(3-acetylanilino)-5-nitropyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile Traditional Name: 3-[[6-(3-acetylanilino)-5-nitro-pyrimidin-4-yl]-(2-cyanoethyl)amino]propionitrile Formula: C18H17N7O3 MolecularWeight: 379.37268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N7O3/c1-13(26)14-5-2-6-15(11-14)23-17-16(25(27)28)18(22-12-21-17)24(9-3-7-19)10-4-8-20/h2,5-6,11-12H,3-4,9-10H2,1H3,(H,21,22,23)