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

Systemtic Name: N-[[4-methyl-1-(phenylsulfonylmethyl)piperidin-3-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-[[1-(benzenesulfonylmethyl)-4-methyl-3-piperidyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: N-[[1-(benzenesulfonylmethyl)-4-methyl-3-piperidinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine IUPAC Name: N-[[1-(benzenesulfonylmethyl)-4-methylpiperidin-3-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [1-(besylmethyl)-4-methyl-3-piperidyl]methyl-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amine Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1CNC2=NC=NC3=C2C=CN3)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1CNC2=NC=NC3=C2C=CN3)CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H25N5O2S/c1-15-8-10-25(14-28(26,27)17-5-3-2-4-6-17)12-16(15)11-22-20-18-7-9-21-19(18)23-13-24-20/h2-7,9,13,15-16H,8,10-12,14H2,1H3,(H2,21,22,23,24)