N-(2-dimethylaminoethyl)-4-(4-nitrophenyl)-2-phenyl-pyrimidine-5-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)C1=CN=C(N=C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CN(C)CCNC(=O)C1=CN=C(N=C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H21N5O3/c1-25(2)13-12-22-21(27)18-14-23-20(16-6-4-3-5-7-16)24-19(18)15-8-10-17(11-9-15)26(28)29/h3-11,14H,12-13H2,1-2H3,(H,22,27)