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

Systemtic Name: 4-methyl-2-phenyl-5-(phenylmethyl)-6-[4-(phenylsulfonyl)piperazin-1-yl]pyrimidine Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-5-benzyl-6-methyl-2-phenyl-pyrimidine CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-6-methyl-2-phenyl-5-(phenylmethyl)pyrimidine IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-5-benzyl-6-methyl-2-phenylpyrimidine Traditional Name: 5-benzyl-4-(4-besylpiperazino)-6-methyl-2-phenyl-pyrimidine Formula: C28H28N4O2S MolecularWeight: 484.61252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O2S/c1-22-26(21-23-11-5-2-6-12-23)28(30-27(29-22)24-13-7-3-8-14-24)31-17-19-32(20-18-31)35(33,34)25-15-9-4-10-16-25/h2-16H,17-21H2,1H3