N-(2-dimethylaminoethyl)-4-methyl-6-(3-nitrophenyl)-2-pyridin-4-yl-pyrimidine-5-carboxamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-methyl-6-(3-nitrophenyl)-2-pyridin-4-yl-pyrimidine-5-carboxamide Openeye Name: N-(2-dimethylaminoethyl)-4-methyl-6-(3-nitrophenyl)-2-(4-pyridyl)pyrimidine-5-carboxamide CAS Name: N-(2-dimethylaminoethyl)-4-methyl-6-(3-nitrophenyl)-2-pyridin-4-yl-5-pyrimidinecarboxamide IUPAC Name: N-(2-dimethylaminoethyl)-4-methyl-6-(3-nitrophenyl)-2-pyridin-4-ylpyrimidine-5-carboxamide Traditional Name: N-(2-dimethylaminoethyl)-4-methyl-6-(3-nitrophenyl)-2-(4-pyridyl)pyrimidine-5-carboxamide Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O3/c1-14-18(21(28)23-11-12-26(2)3)19(16-5-4-6-17(13-16)27(29)30)25-20(24-14)15-7-9-22-10-8-15/h4-10,13H,11-12H2,1-3H3,(H,23,28)