5-[(3-methoxyphenyl)methyl]-2,4-dimethyl-6-[4-(phenylsulfonyl)piperazin-1-yl]pyrimidine

Systemtic Name: 5-[(3-methoxyphenyl)methyl]-2,4-dimethyl-6-[4-(phenylsulfonyl)piperazin-1-yl]pyrimidine Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-5-[(3-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidine CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-5-[(3-methoxyphenyl)methyl]-2,6-dimethylpyrimidine IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-5-[(3-methoxyphenyl)methyl]-2,6-dimethylpyrimidine Traditional Name: 4-(4-besylpiperazino)-5-m-anisyl-2,6-dimethyl-pyrimidine Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)CC4=CC(=CC=C4)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)CC4=CC(=CC=C4)OC

InChI

InChI=1S/C24H28N4O3S/c1-18-23(17-20-8-7-9-21(16-20)31-3)24(26-19(2)25-18)27-12-14-28(15-13-27)32(29,30)22-10-5-4-6-11-22/h4-11,16H,12-15,17H2,1-3H3