5-[(4-chlorophenyl)methyl]-4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)-2-methyl-pyrimidine

Systemtic Name: 5-[(4-chlorophenyl)methyl]-4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)-2-methyl-pyrimidine Openeye Name: 5-[(4-chlorophenyl)methyl]-4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)-2-methyl-pyrimidine CAS Name: 5-[(4-chlorophenyl)methyl]-4-ethyl-6-(4-ethylsulfonyl-1-piperazinyl)-2-methylpyrimidine IUPAC Name: 5-[(4-chlorophenyl)methyl]-4-ethyl-6-(4-ethylsulfonylpiperazin-1-yl)-2-methylpyrimidine Traditional Name: 5-(4-chlorobenzyl)-4-(4-esylpiperazino)-6-ethyl-2-methyl-pyrimidine Formula: C20H27ClN4O2S MolecularWeight: 422.97198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClN4O2S/c1-4-19-18(14-16-6-8-17(21)9-7-16)20(23-15(3)22-19)24-10-12-25(13-11-24)28(26,27)5-2/h6-9H,4-5,10-14H2,1-3H3