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

Systemtic Name: N-[[1-(3-fluorophenyl)sulfonyl-4-methyl-piperidin-3-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-[[1-(3-fluorophenyl)sulfonyl-4-methyl-3-piperidyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: N-[[1-(3-fluorophenyl)sulfonyl-4-methyl-3-piperidinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine IUPAC Name: N-[[1-(3-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [1-(3-fluorophenyl)sulfonyl-4-methyl-3-piperidyl]methyl-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amine Formula: C19H22FN5O2S MolecularWeight: 403.473683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22FN5O2S/c1-13-6-8-25(28(26,27)16-4-2-3-15(20)9-16)11-14(13)10-22-19-17-5-7-21-18(17)23-12-24-19/h2-5,7,9,12-14H,6,8,10-11H2,1H3,(H2,21,22,23,24)