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

Systemtic Name: 4-ethyl-2-methyl-5-(phenylmethyl)-6-[4-(phenylmethyl)sulfonylpiperazin-1-yl]pyrimidine Openeye Name: 5-benzyl-4-(4-benzylsulfonylpiperazin-1-yl)-6-ethyl-2-methyl-pyrimidine CAS Name: 4-ethyl-2-methyl-5-(phenylmethyl)-6-[4-(phenylmethyl)sulfonyl-1-piperazinyl]pyrimidine IUPAC Name: 5-benzyl-4-(4-benzylsulfonylpiperazin-1-yl)-6-ethyl-2-methylpyrimidine Traditional Name: 5-benzyl-4-(4-benzylsulfonylpiperazino)-6-ethyl-2-methyl-pyrimidine Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2S/c1-3-24-23(18-21-10-6-4-7-11-21)25(27-20(2)26-24)28-14-16-29(17-15-28)32(30,31)19-22-12-8-5-9-13-22/h4-13H,3,14-19H2,1-2H3