2,4-dimethyl-6-(4-methylsulfonylpiperazin-1-yl)-5-[(4-nitrophenyl)methyl]pyrimidine

Systemtic Name: 2,4-dimethyl-6-(4-methylsulfonylpiperazin-1-yl)-5-[(4-nitrophenyl)methyl]pyrimidine Openeye Name: 2,4-dimethyl-6-(4-methylsulfonylpiperazin-1-yl)-5-[(4-nitrophenyl)methyl]pyrimidine CAS Name: 2,4-dimethyl-6-(4-methylsulfonyl-1-piperazinyl)-5-[(4-nitrophenyl)methyl]pyrimidine IUPAC Name: 2,4-dimethyl-6-(4-methylsulfonylpiperazin-1-yl)-5-[(4-nitrophenyl)methyl]pyrimidine Traditional Name: 4-(4-mesylpiperazino)-2,6-dimethyl-5-(4-nitrobenzyl)pyrimidine Formula: C18H23N5O4S MolecularWeight: 405.47132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O4S/c1-13-17(12-15-4-6-16(7-5-15)23(24)25)18(20-14(2)19-13)21-8-10-22(11-9-21)28(3,26)27/h4-7H,8-12H2,1-3H3