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

Systemtic Name: N-methyl-N-[4-methyl-1-(3-methylphenyl)sulfonyl-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-methyl-N-[4-methyl-1-(m-tolylsulfonyl)-3-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: N-methyl-N-[4-methyl-1-(3-methylphenyl)sulfonyl-3-piperidinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine IUPAC Name: N-methyl-N-[4-methyl-1-(3-methylphenyl)sulfonylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: methyl-[4-methyl-1-(m-tolylsulfonyl)-3-piperidyl]-(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(CC1N(C)C2=NC=NC3=C2C=CN3)S(=O)(=O)C4=CC=CC(=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O2S/c1-14-5-4-6-16(11-14)28(26,27)25-10-8-15(2)18(12-25)24(3)20-17-7-9-21-19(17)22-13-23-20/h4-7,9,11,13,15,18H,8,10,12H2,1-3H3,(H,21,22,23)