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

Systemtic Name: N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-7-(4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine Openeye Name: N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-7-(4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine CAS Name: N-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]-7-(4-methylsulfonylphenyl)-2-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: N-[4-methoxy-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]-[4-methoxy-3-(4-methylpiperazino)phenyl]amine Formula: C25H28N6O3S MolecularWeight: 492.59322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N6O3S/c1-29-12-14-30(15-13-29)22-16-19(4-9-23(22)34-2)27-25-26-17-18-10-11-31(24(18)28-25)20-5-7-21(8-6-20)35(3,32)33/h4-11,16-17H,12-15H2,1-3H3,(H,26,27,28)