[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone

Systemtic Name: [4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone Openeye Name: [4-[6-ethyl-2-methyl-5-(p-tolylmethyl)pyrimidin-4-yl]piperazin-1-yl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: [4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1-piperazinyl]-(4-methyl-3-nitrophenyl)methanone IUPAC Name: [4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: [4-[6-ethyl-2-methyl-5-(4-methylbenzyl)pyrimidin-4-yl]piperazino]-(4-methyl-3-nitro-phenyl)methanone Formula: C27H31N5O3 MolecularWeight: 473.56674

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])CC4=CC=C(C=C4)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])CC4=CC=C(C=C4)C

InChI

InChI=1S/C27H31N5O3/c1-5-24-23(16-21-9-6-18(2)7-10-21)26(29-20(4)28-24)30-12-14-31(15-13-30)27(33)22-11-8-19(3)25(17-22)32(34)35/h6-11,17H,5,12-16H2,1-4H3