2-methyl-8-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-quinoline

Systemtic Name: 2-methyl-8-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-quinoline Openeye Name: 2-methyl-8-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-quinoline CAS Name: 2-methyl-8-[[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]sulfonyl]quinoline IUPAC Name: 2-methyl-8-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylquinoline Traditional Name: 2-methyl-8-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]sulfonyl-quinoline Formula: C22H26N6O2S MolecularWeight: 438.54584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2S(=O)(=O)N3CCN(CC3)C4=NC=NC(=C4)N5CCCC5)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2S(=O)(=O)N3CCN(CC3)C4=NC=NC(=C4)N5CCCC5)C=C1

InChI

InChI=1S/C22H26N6O2S/c1-17-7-8-18-5-4-6-19(22(18)25-17)31(29,30)28-13-11-27(12-14-28)21-15-20(23-16-24-21)26-9-2-3-10-26/h4-8,15-16H,2-3,9-14H2,1H3