4-[4-(4-methoxy-2,5-dimethyl-phenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-yl-pyrimidine

Systemtic Name: 4-[4-(4-methoxy-2,5-dimethyl-phenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 4-[4-(4-methoxy-2,5-dimethyl-phenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-yl-pyrimidine CAS Name: 4-[4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-2-methyl-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 4-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine Traditional Name: 4-[4-(4-methoxy-2,5-dimethyl-phenyl)sulfonylpiperazino]-2-methyl-6-pyrrolidino-pyrimidine Formula: C22H31N5O3S MolecularWeight: 445.57824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3)N4CCCC4)C)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3)N4CCCC4)C)C)OC

InChI

InChI=1S/C22H31N5O3S/c1-16-14-20(17(2)13-19(16)30-4)31(28,29)27-11-9-26(10-12-27)22-15-21(23-18(3)24-22)25-7-5-6-8-25/h13-15H,5-12H2,1-4H3