2-[[4-[(4-chloranyl-2-methylsulfonyl-phenyl)methyl]piperazin-1-yl]methyl]-4,6-dimethoxy-pyrimidine

Systemtic Name: 2-[[4-[(4-chloranyl-2-methylsulfonyl-phenyl)methyl]piperazin-1-yl]methyl]-4,6-dimethoxy-pyrimidine Openeye Name: 2-[[4-[(4-chloro-2-methylsulfonyl-phenyl)methyl]piperazin-1-yl]methyl]-4,6-dimethoxy-pyrimidine CAS Name: 2-[[4-[(4-chloro-2-methylsulfonylphenyl)methyl]-1-piperazinyl]methyl]-4,6-dimethoxypyrimidine IUPAC Name: 2-[[4-[(4-chloro-2-methylsulfonylphenyl)methyl]piperazin-1-yl]methyl]-4,6-dimethoxypyrimidine Traditional Name: 2-[[4-(4-chloro-2-mesyl-benzyl)piperazino]methyl]-4,6-dimethoxy-pyrimidine Formula: C19H25ClN4O4S MolecularWeight: 440.9442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)CN2CCN(CC2)CC3=C(C=C(C=C3)Cl)S(=O)(=O)C)OC

Isomeric SMILES

COC1=CC(=NC(=N1)CN2CCN(CC2)CC3=C(C=C(C=C3)Cl)S(=O)(=O)C)OC

InChI

InChI=1S/C19H25ClN4O4S/c1-27-18-11-19(28-2)22-17(21-18)13-24-8-6-23(7-9-24)12-14-4-5-15(20)10-16(14)29(3,25)26/h4-5,10-11H,6-9,12-13H2,1-3H3