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

Systemtic Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-yl-pyrimidine CAS Name: 4-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-2-methyl-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine Traditional Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-2-methyl-6-pyrrolidino-pyrimidine Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3)N4CCCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3)N4CCCC4)C

InChI

InChI=1S/C21H29N5O2S/c1-16-6-7-17(2)19(14-16)29(27,28)26-12-10-25(11-13-26)21-15-20(22-18(3)23-21)24-8-4-5-9-24/h6-7,14-15H,4-5,8-13H2,1-3H3