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

Systemtic Name: N-[[4-methyl-1-[(4-methylsulfonylphenyl)methyl]piperidin-3-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-[[4-methyl-1-[(4-methylsulfonylphenyl)methyl]-3-piperidyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: N-[[4-methyl-1-[(4-methylsulfonylphenyl)methyl]-3-piperidinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine IUPAC Name: N-[[4-methyl-1-[(4-methylsulfonylphenyl)methyl]piperidin-3-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [1-(4-mesylbenzyl)-4-methyl-3-piperidyl]methyl-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amine Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1CNC2=NC=NC3=C2C=CN3)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1CCN(CC1CNC2=NC=NC3=C2C=CN3)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C21H27N5O2S/c1-15-8-10-26(12-16-3-5-18(6-4-16)29(2,27)28)13-17(15)11-23-21-19-7-9-22-20(19)24-14-25-21/h3-7,9,14-15,17H,8,10-13H2,1-2H3,(H2,22,23,24,25)