N-[[1-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)-4-methyl-piperidin-3-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: N-[[1-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)-4-methyl-piperidin-3-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-[[1-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)-4-methyl-3-piperidyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: N-[[1-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)-4-methyl-3-piperidinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine IUPAC Name: N-[[1-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)-4-methylpiperidin-3-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [1-(5-esyl-1,3-benzoxazol-2-yl)-4-methyl-3-piperidyl]methyl-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amine Formula: C22H26N6O3S MolecularWeight: 454.54524

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)N3CCC(C(C3)CNC4=NC=NC5=C4C=CN5)C

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)N3CCC(C(C3)CNC4=NC=NC5=C4C=CN5)C

InChI

InChI=1S/C22H26N6O3S/c1-3-32(29,30)16-4-5-19-18(10-16)27-22(31-19)28-9-7-14(2)15(12-28)11-24-21-17-6-8-23-20(17)25-13-26-21/h4-6,8,10,13-15H,3,7,9,11-12H2,1-2H3,(H2,23,24,25,26)