4-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidine

Systemtic Name: 4-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidine Openeye Name: 4-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidine CAS Name: 4-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-6-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]pyrimidine IUPAC Name: 4-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidine Traditional Name: 4-ethyl-5-(3-fluorobenzyl)-2-methyl-6-(4-nosylpiperazino)pyrimidine Formula: C24H26FN5O4S MolecularWeight: 499.557743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26FN5O4S/c1-3-23-22(16-18-5-4-6-19(25)15-18)24(27-17(2)26-23)28-11-13-29(14-12-28)35(33,34)21-9-7-20(8-10-21)30(31)32/h4-10,15H,3,11-14,16H2,1-2H3