2-[4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)-5-[(3-methylphenyl)methyl]pyrimidin-2-yl]ethanenitrile

Systemtic Name: 2-[4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)-5-[(3-methylphenyl)methyl]pyrimidin-2-yl]ethanenitrile Openeye Name: 2-[4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)-5-(m-tolylmethyl)pyrimidin-2-yl]acetonitrile CAS Name: 2-[4-ethyl-6-(4-ethylsulfonyl-1-piperazinyl)-5-[(3-methylphenyl)methyl]-2-pyrimidinyl]acetonitrile IUPAC Name: 2-[4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)-5-[(3-methylphenyl)methyl]pyrimidin-2-yl]acetonitrile Traditional Name: 2-[4-(4-esylpiperazino)-6-ethyl-5-(3-methylbenzyl)pyrimidin-2-yl]acetonitrile Formula: C22H29N5O2S MolecularWeight: 427.56296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)CC#N)N2CCN(CC2)S(=O)(=O)CC)CC3=CC=CC(=C3)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)CC#N)N2CCN(CC2)S(=O)(=O)CC)CC3=CC=CC(=C3)C

InChI

InChI=1S/C22H29N5O2S/c1-4-20-19(16-18-8-6-7-17(3)15-18)22(25-21(24-20)9-10-23)26-11-13-27(14-12-26)30(28,29)5-2/h6-8,15H,4-5,9,11-14,16H2,1-3H3