[4-ethyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [4-ethyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [4-ethyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone CAS Name: [4-ethyl-6-(3-nitrophenyl)-2-phenyl-5-pyrimidinyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [4-ethyl-6-(3-nitrophenyl)-2-phenylpyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [4-ethyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]-(4-methylpiperazino)methanone Formula: C24H25N5O3 MolecularWeight: 431.487

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NC(=C1C(=O)N2CCN(CC2)C)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CCC1=NC(=NC(=C1C(=O)N2CCN(CC2)C)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C24H25N5O3/c1-3-20-21(24(30)28-14-12-27(2)13-15-28)22(18-10-7-11-19(16-18)29(31)32)26-23(25-20)17-8-5-4-6-9-17/h4-11,16H,3,12-15H2,1-2H3