N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-3-methyl-2-nitro-benzamide

Systemtic Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-3-methyl-2-nitro-benzamide Openeye Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-3-methyl-2-nitro-benzamide CAS Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]amino]ethyl]-3-methyl-2-nitrobenzamide IUPAC Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-3-methyl-2-nitrobenzamide Traditional Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-3-methyl-2-nitro-benzamide Formula: C24H27N7O4 MolecularWeight: 477.51568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NCCNC2=CC(=NC(=N2)C3=CC=CC=C3)NCCNC(=O)C

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NCCNC2=CC(=NC(=N2)C3=CC=CC=C3)NCCNC(=O)C

InChI

InChI=1S/C24H27N7O4/c1-16-7-6-10-19(22(16)31(34)35)24(33)28-14-13-27-21-15-20(26-12-11-25-17(2)32)29-23(30-21)18-8-4-3-5-9-18/h3-10,15H,11-14H2,1-2H3,(H,25,32)(H,28,33)(H2,26,27,29,30)