4-ethyl-2-methyl-5-(phenylmethyl)-6-[4-(phenylsulfonyl)piperazin-1-yl]pyrimidine

Systemtic Name: 4-ethyl-2-methyl-5-(phenylmethyl)-6-[4-(phenylsulfonyl)piperazin-1-yl]pyrimidine Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-5-benzyl-6-ethyl-2-methyl-pyrimidine CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-6-ethyl-2-methyl-5-(phenylmethyl)pyrimidine IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-5-benzyl-6-ethyl-2-methylpyrimidine Traditional Name: 5-benzyl-4-(4-besylpiperazino)-6-ethyl-2-methyl-pyrimidine Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O2S/c1-3-23-22(18-20-10-6-4-7-11-20)24(26-19(2)25-23)27-14-16-28(17-15-27)31(29,30)21-12-8-5-9-13-21/h4-13H,3,14-18H2,1-2H3