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

Systemtic Name: 2-methyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 2-methyl-4-[4-(p-tolylsulfonyl)piperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine CAS Name: 2-methyl-4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 2-methyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine Traditional Name: 2-methyl-4-pyrrolidino-6-(4-tosylpiperazino)pyrimidine Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O2S/c1-16-5-7-18(8-6-16)28(26,27)25-13-11-24(12-14-25)20-15-19(21-17(2)22-20)23-9-3-4-10-23/h5-8,15H,3-4,9-14H2,1-2H3