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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3)N4CCCC4)C

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3)N4CCCC4)C

InChI

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