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

Systemtic Name: 4-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidine Openeye Name: 4-ethyl-2-methyl-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-5-(p-tolylmethyl)pyrimidine CAS Name: 4-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-6-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]pyrimidine IUPAC Name: 4-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidine Traditional Name: 4-ethyl-2-methyl-5-(4-methylbenzyl)-6-(4-nosylpiperazino)pyrimidine Formula: C25H29N5O4S MolecularWeight: 495.59386

Click to see the large picture

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=C(C=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5O4S/c1-4-24-23(17-20-7-5-18(2)6-8-20)25(27-19(3)26-24)28-13-15-29(16-14-28)35(33,34)22-11-9-21(10-12-22)30(31)32/h5-12H,4,13-17H2,1-3H3