N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]-3-methyl-2-nitro-benzamide

Systemtic Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]-3-methyl-2-nitro-benzamide Openeye Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]-3-methyl-2-nitro-benzamide CAS Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-4-pyrimidinyl]amino]ethyl]-3-methyl-2-nitrobenzamide IUPAC Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenylpyrimidin-4-yl]amino]ethyl]-3-methyl-2-nitrobenzamide Traditional Name: N-[2-[[6-(2-acetamidoethylamino)-5-methyl-2-phenyl-pyrimidin-4-yl]amino]ethyl]-3-methyl-2-nitro-benzamide Formula: C25H29N7O4 MolecularWeight: 491.54226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N7O4/c1-16-8-7-11-20(21(16)32(35)36)25(34)29-15-14-28-23-17(2)22(27-13-12-26-18(3)33)30-24(31-23)19-9-5-4-6-10-19/h4-11H,12-15H2,1-3H3,(H,26,33)(H,29,34)(H2,27,28,30,31)