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

Systemtic Name: N-[3-(4-methylpiperazin-1-yl)phenyl]-7-(4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine Openeye Name: N-[3-(4-methylpiperazin-1-yl)phenyl]-7-(4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine CAS Name: N-[3-(4-methyl-1-piperazinyl)phenyl]-7-(4-methylsulfonylphenyl)-2-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: N-[3-(4-methylpiperazin-1-yl)phenyl]-7-(4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine Traditional Name: [7-(4-mesylphenyl)pyrrolo[2,3-d]pyrimidin-2-yl]-[3-(4-methylpiperazino)phenyl]amine Formula: C24H26N6O2S MolecularWeight: 462.56724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=CC=C2)NC3=NC=C4C=CN(C4=N3)C5=CC=C(C=C5)S(=O)(=O)C

Isomeric SMILES

CN1CCN(CC1)C2=CC(=CC=C2)NC3=NC=C4C=CN(C4=N3)C5=CC=C(C=C5)S(=O)(=O)C

InChI

InChI=1S/C24H26N6O2S/c1-28-12-14-29(15-13-28)21-5-3-4-19(16-21)26-24-25-17-18-10-11-30(23(18)27-24)20-6-8-22(9-7-20)33(2,31)32/h3-11,16-17H,12-15H2,1-2H3,(H,25,26,27)