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

Systemtic Name: 4-(4-ethylsulfonylpiperazin-1-yl)-2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidine Openeye Name: 4-(4-ethylsulfonylpiperazin-1-yl)-2,6-dimethyl-5-(p-tolylmethyl)pyrimidine CAS Name: 4-(4-ethylsulfonyl-1-piperazinyl)-2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidine IUPAC Name: 4-(4-ethylsulfonylpiperazin-1-yl)-2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidine Traditional Name: 4-(4-esylpiperazino)-2,6-dimethyl-5-(4-methylbenzyl)pyrimidine Formula: C20H28N4O2S MolecularWeight: 388.52692

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)C)C)C

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)C)C)C

InChI

InChI=1S/C20H28N4O2S/c1-5-27(25,26)24-12-10-23(11-13-24)20-19(16(3)21-17(4)22-20)14-18-8-6-15(2)7-9-18/h6-9H,5,10-14H2,1-4H3