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

Systemtic Name: 4-ethyl-2-methyl-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-5-(phenylmethyl)pyrimidine Openeye Name: 5-benzyl-4-ethyl-2-methyl-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidine CAS Name: 4-ethyl-2-methyl-6-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]-5-(phenylmethyl)pyrimidine IUPAC Name: 5-benzyl-4-ethyl-2-methyl-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidine Traditional Name: 5-benzyl-4-ethyl-2-methyl-6-(4-nosylpiperazino)pyrimidine Formula: C24H27N5O4S MolecularWeight: 481.56728

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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

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

InChI

InChI=1S/C24H27N5O4S/c1-3-23-22(17-19-7-5-4-6-8-19)24(26-18(2)25-23)27-13-15-28(16-14-27)34(32,33)21-11-9-20(10-12-21)29(30)31/h4-12H,3,13-17H2,1-2H3