4-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine

Systemtic Name: 4-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 4-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-yl-pyrimidine CAS Name: 4-[4-(3,5-dimethylphenyl)sulfonyl-1-piperazinyl]-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 4-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine Traditional Name: 4-[4-(3,5-dimethylphenyl)sulfonylpiperazino]-6-pyrrolidino-pyrimidine Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O2S/c1-16-11-17(2)13-18(12-16)28(26,27)25-9-7-24(8-10-25)20-14-19(21-15-22-20)23-5-3-4-6-23/h11-15H,3-10H2,1-2H3