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

Systemtic Name: 4-(4-ethylsulfonylpiperazin-1-yl)-2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidine Openeye Name: 4-(4-ethylsulfonylpiperazin-1-yl)-2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidine CAS Name: 4-(4-ethylsulfonyl-1-piperazinyl)-2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidine IUPAC Name: 4-(4-ethylsulfonylpiperazin-1-yl)-2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidine Traditional Name: 4-(4-esylpiperazino)-2,6-dimethyl-5-(4-nitrobenzyl)pyrimidine Formula: C19H25N5O4S MolecularWeight: 419.4979

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C19H25N5O4S/c1-4-29(27,28)23-11-9-22(10-12-23)19-18(14(2)20-15(3)21-19)13-16-5-7-17(8-6-16)24(25)26/h5-8H,4,9-13H2,1-3H3