N-[2-acetamido-6-[(E)-2-(4-nitrophenyl)ethenyl]-5-(4-phenylbutyl)pyrimidin-4-yl]ethanamide

Systemtic Name: N-[2-acetamido-6-[(E)-2-(4-nitrophenyl)ethenyl]-5-(4-phenylbutyl)pyrimidin-4-yl]ethanamide Openeye Name: N-[2-acetamido-6-[(E)-2-(4-nitrophenyl)vinyl]-5-(4-phenylbutyl)pyrimidin-4-yl]acetamide CAS Name: N-[2-acetamido-6-[(E)-2-(4-nitrophenyl)ethenyl]-5-(4-phenylbutyl)-4-pyrimidinyl]acetamide IUPAC Name: N-[2-acetamido-6-[(E)-2-(4-nitrophenyl)ethenyl]-5-(4-phenylbutyl)pyrimidin-4-yl]acetamide Traditional Name: N-[2-acetamido-6-[(E)-2-(4-nitrophenyl)vinyl]-5-(4-phenylbutyl)pyrimidin-4-yl]acetamide Formula: C26H27N5O4 MolecularWeight: 473.52368

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=NC(=C1CCCCC2=CC=CC=C2)C=CC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)C

Isomeric SMILES

CC(=O)NC1=NC(=NC(=C1CCCCC2=CC=CC=C2)/C=C/C3=CC=C(C=C3)[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C26H27N5O4/c1-18(32)27-25-23(11-7-6-10-20-8-4-3-5-9-20)24(29-26(30-25)28-19(2)33)17-14-21-12-15-22(16-13-21)31(34)35/h3-5,8-9,12-17H,6-7,10-11H2,1-2H3,(H2,27,28,29,30,32,33)/b17-14+