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

Systemtic Name: 4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-6-ethyl-2-methyl-5-(phenylmethyl)pyrimidine Openeye Name: 5-benzyl-4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-6-ethyl-2-methyl-pyrimidine CAS Name: 4-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-6-ethyl-2-methyl-5-(phenylmethyl)pyrimidine IUPAC Name: 5-benzyl-4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-6-ethyl-2-methylpyrimidine Traditional Name: 5-benzyl-4-(4-brosylpiperazino)-6-ethyl-2-methyl-pyrimidine Formula: C24H27BrN4O2S MolecularWeight: 515.46578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27BrN4O2S/c1-3-23-22(17-19-7-5-4-6-8-19)24(27-18(2)26-23)28-13-15-29(16-14-28)32(30,31)21-11-9-20(25)10-12-21/h4-12H,3,13-17H2,1-2H3