N-(2-acetamidoethyl)-4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxamide

Systemtic Name: N-(2-acetamidoethyl)-4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxamide Openeye Name: N-(2-acetamidoethyl)-4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxamide CAS Name: N-(2-acetamidoethyl)-4-methyl-6-(3-nitrophenyl)-2-phenyl-5-pyrimidinecarboxamide IUPAC Name: N-(2-acetamidoethyl)-4-methyl-6-(3-nitrophenyl)-2-phenylpyrimidine-5-carboxamide Traditional Name: N-(2-acetamidoethyl)-4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxamide Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)NCCNC(=O)C)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)NCCNC(=O)C)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C22H21N5O4/c1-14-19(22(29)24-12-11-23-15(2)28)20(17-9-6-10-18(13-17)27(30)31)26-21(25-14)16-7-4-3-5-8-16/h3-10,13H,11-12H2,1-2H3,(H,23,28)(H,24,29)