N-[3-[[[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]methyl]phenyl]furan-2-carboxamide

Systemtic Name: N-[3-[[[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]methyl]phenyl]furan-2-carboxamide Openeye Name: N-[3-[[[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]methyl]phenyl]furan-2-carboxamide CAS Name: N-[3-[[[6-ethyl-2-(4-nitrophenyl)-4-pyrimidinyl]amino]methyl]phenyl]-2-furancarboxamide IUPAC Name: N-[3-[[[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]methyl]phenyl]furan-2-carboxamide Traditional Name: N-[3-[[[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]methyl]phenyl]-2-furamide Formula: C24H21N5O4 MolecularWeight: 443.45464

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])NCC3=CC(=CC=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

CCC1=CC(=NC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])NCC3=CC(=CC=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C24H21N5O4/c1-2-18-14-22(28-23(26-18)17-8-10-20(11-9-17)29(31)32)25-15-16-5-3-6-19(13-16)27-24(30)21-7-4-12-33-21/h3-14H,2,15H2,1H3,(H,27,30)(H,25,26,28)