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

Systemtic Name: N-[4-(1-methylpiperidin-4-yl)phenyl]-7-(4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine Openeye Name: N-[4-(1-methyl-4-piperidyl)phenyl]-7-(4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine CAS Name: N-[4-(1-methyl-4-piperidinyl)phenyl]-7-(4-methylsulfonylphenyl)-2-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: N-[4-(1-methylpiperidin-4-yl)phenyl]-7-(4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine Traditional Name: [7-(4-mesylphenyl)pyrrolo[2,3-d]pyrimidin-2-yl]-[4-(1-methyl-4-piperidyl)phenyl]amine Formula: C25H27N5O2S MolecularWeight: 461.57918

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2=CC=C(C=C2)NC3=NC=C4C=CN(C4=N3)C5=CC=C(C=C5)S(=O)(=O)C

Isomeric SMILES

CN1CCC(CC1)C2=CC=C(C=C2)NC3=NC=C4C=CN(C4=N3)C5=CC=C(C=C5)S(=O)(=O)C

InChI

InChI=1S/C25H27N5O2S/c1-29-14-11-19(12-15-29)18-3-5-21(6-4-18)27-25-26-17-20-13-16-30(24(20)28-25)22-7-9-23(10-8-22)33(2,31)32/h3-10,13,16-17,19H,11-12,14-15H2,1-2H3,(H,26,27,28)