4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]-N-ethyl-piperazine-1-carboxamide

Systemtic Name: 4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]-N-ethyl-piperazine-1-carboxamide Openeye Name: 4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]-N-ethyl-piperazine-1-carboxamide CAS Name: 4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]-4-pyrimidinyl]-N-ethyl-1-piperazinecarboxamide IUPAC Name: 4-[2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide Traditional Name: 4-[2,6-dimethyl-5-(4-nitrobenzyl)pyrimidin-4-yl]-N-ethyl-piperazine-1-carboxamide Formula: C20H26N6O3 MolecularWeight: 398.45884

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CCNC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C20H26N6O3/c1-4-21-20(27)25-11-9-24(10-12-25)19-18(14(2)22-15(3)23-19)13-16-5-7-17(8-6-16)26(28)29/h5-8H,4,9-13H2,1-3H3,(H,21,27)