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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=CC(=N3)N4CCCC4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=CC(=N3)N4CCCC4)C)C

InChI

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