5-[(4-chlorophenyl)methyl]-4-methyl-6-(4-methylsulfonylpiperazin-1-yl)-2-phenyl-pyrimidine

Systemtic Name: 5-[(4-chlorophenyl)methyl]-4-methyl-6-(4-methylsulfonylpiperazin-1-yl)-2-phenyl-pyrimidine Openeye Name: 5-[(4-chlorophenyl)methyl]-4-methyl-6-(4-methylsulfonylpiperazin-1-yl)-2-phenyl-pyrimidine CAS Name: 5-[(4-chlorophenyl)methyl]-4-methyl-6-(4-methylsulfonyl-1-piperazinyl)-2-phenylpyrimidine IUPAC Name: 5-[(4-chlorophenyl)methyl]-4-methyl-6-(4-methylsulfonylpiperazin-1-yl)-2-phenylpyrimidine Traditional Name: 5-(4-chlorobenzyl)-4-(4-mesylpiperazino)-6-methyl-2-phenyl-pyrimidine Formula: C23H25ClN4O2S MolecularWeight: 456.9882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)S(=O)(=O)C)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)S(=O)(=O)C)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H25ClN4O2S/c1-17-21(16-18-8-10-20(24)11-9-18)23(26-22(25-17)19-6-4-3-5-7-19)27-12-14-28(15-13-27)31(2,29)30/h3-11H,12-16H2,1-2H3