5-chloranyl-4-methyl-6-[4-(phenylsulfonyl)piperazin-1-yl]-2-pyridin-2-yl-pyrimidine

Systemtic Name: 5-chloranyl-4-methyl-6-[4-(phenylsulfonyl)piperazin-1-yl]-2-pyridin-2-yl-pyrimidine Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-5-chloro-6-methyl-2-(2-pyridyl)pyrimidine CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-5-chloro-6-methyl-2-(2-pyridinyl)pyrimidine IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-5-chloro-6-methyl-2-pyridin-2-ylpyrimidine Traditional Name: 4-(4-besylpiperazino)-5-chloro-6-methyl-2-(2-pyridyl)pyrimidine Formula: C20H20ClN5O2S MolecularWeight: 429.9231

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=N2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=N2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C20H20ClN5O2S/c1-15-18(21)20(24-19(23-15)17-9-5-6-10-22-17)25-11-13-26(14-12-25)29(27,28)16-7-3-2-4-8-16/h2-10H,11-14H2,1H3