7-(4-methylsulfonylphenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine

Systemtic Name: 7-(4-methylsulfonylphenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine Openeye Name: 7-(4-methylsulfonylphenyl)-N-[3-(1-piperidylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine CAS Name: 7-(4-methylsulfonylphenyl)-N-[3-(1-piperidinylmethyl)phenyl]-2-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 7-(4-methylsulfonylphenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine Traditional Name: [7-(4-mesylphenyl)pyrrolo[2,3-d]pyrimidin-2-yl]-[3-(piperidinomethyl)phenyl]amine Formula: C25H27N5O2S MolecularWeight: 461.57918

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2C=CC3=CN=C(N=C32)NC4=CC=CC(=C4)CN5CCCCC5

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C=CC3=CN=C(N=C32)NC4=CC=CC(=C4)CN5CCCCC5

InChI

InChI=1S/C25H27N5O2S/c1-33(31,32)23-10-8-22(9-11-23)30-15-12-20-17-26-25(28-24(20)30)27-21-7-5-6-19(16-21)18-29-13-3-2-4-14-29/h5-12,15-17H,2-4,13-14,18H2,1H3,(H,26,27,28)