N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-4-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]amino]ethyl]-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-4-nitro-1H-pyrazole-5-carboxamide Formula: C20H23N9O4 MolecularWeight: 453.45452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C2=C(C=NN2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C2=C(C=NN2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H23N9O4/c1-13(30)21-7-8-22-16-11-17(27-19(26-16)14-5-3-2-4-6-14)23-9-10-24-20(31)18-15(29(32)33)12-25-28-18/h2-6,11-12H,7-10H2,1H3,(H,21,30)(H,24,31)(H,25,28)(H2,22,23,26,27)