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

Systemtic Name: N-(dimethylaminomethyl)-4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxamide Openeye Name: N-(dimethylaminomethyl)-4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxamide CAS Name: N-(dimethylaminomethyl)-4-methyl-6-(3-nitrophenyl)-2-phenyl-5-pyrimidinecarboxamide IUPAC Name: N-(dimethylaminomethyl)-4-methyl-6-(3-nitrophenyl)-2-phenylpyrimidine-5-carboxamide Traditional Name: N-(dimethylaminomethyl)-4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O3/c1-14-18(21(27)22-13-25(2)3)19(16-10-7-11-17(12-16)26(28)29)24-20(23-14)15-8-5-4-6-9-15/h4-12H,13H2,1-3H3,(H,22,27)