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

Systemtic Name: N-methyl-N-[4-methyl-1-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-methyl-N-[4-methyl-1-[[4-(1-piperidylsulfonyl)phenyl]methyl]-3-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: N-methyl-N-[4-methyl-1-[[4-(1-piperidinylsulfonyl)phenyl]methyl]-3-piperidinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine IUPAC Name: N-methyl-N-[4-methyl-1-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: methyl-[4-methyl-1-(4-piperidinosulfonylbenzyl)-3-piperidyl]-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amine Formula: C25H34N6O2S MolecularWeight: 482.64146

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)CC4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)CC4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C25H34N6O2S/c1-19-11-15-30(17-23(19)29(2)25-22-10-12-26-24(22)27-18-28-25)16-20-6-8-21(9-7-20)34(32,33)31-13-4-3-5-14-31/h6-10,12,18-19,23H,3-5,11,13-17H2,1-2H3,(H,26,27,28)