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

Systemtic Name: N-[[4-methyl-1-(phenylsulfonyl)piperidin-3-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-[[1-(benzenesulfonyl)-4-methyl-3-piperidyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: N-[[1-(benzenesulfonyl)-4-methyl-3-piperidinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine IUPAC Name: N-[[1-(benzenesulfonyl)-4-methylpiperidin-3-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: (1-besyl-4-methyl-3-piperidyl)methyl-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amine Formula: C19H23N5O2S MolecularWeight: 385.48322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O2S/c1-14-8-10-24(27(25,26)16-5-3-2-4-6-16)12-15(14)11-21-19-17-7-9-20-18(17)22-13-23-19/h2-7,9,13-15H,8,10-12H2,1H3,(H2,20,21,22,23)