2-ethyl-2-methyl-4-[[7-(4-methylsulfinylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylic acid

Systemtic Name: 2-ethyl-2-methyl-4-[[7-(4-methylsulfinylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylic acid Openeye Name: 2-ethyl-2-methyl-4-[[7-(4-methylsulfinylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylic acid CAS Name: 2-ethyl-2-methyl-4-[[7-(4-methylsulfinylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]-1-piperidinecarboxylic acid IUPAC Name: 2-ethyl-2-methyl-4-[[7-(4-methylsulfinylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylic acid Traditional Name: 2-ethyl-2-methyl-4-[[7-(4-methylsulfinylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylic acid Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(CCN1C(=O)O)OC2=NC=NC3=C2CCN3C4=CC=C(C=C4)S(=O)C)C

Isomeric SMILES

CCC1(CC(CCN1C(=O)O)OC2=NC=NC3=C2CCN3C4=CC=C(C=C4)S(=O)C)C

InChI

InChI=1S/C22H28N4O4S/c1-4-22(2)13-16(9-12-26(22)21(27)28)30-20-18-10-11-25(19(18)23-14-24-20)15-5-7-17(8-6-15)31(3)29/h5-8,14,16H,4,9-13H2,1-3H3,(H,27,28)