N-(2-methoxy-4-thiomorpholin-4-yl-phenyl)-7-pyridin-2-yl-pyrrolo[2,3-d]pyrimidin-2-amine

Systemtic Name: N-(2-methoxy-4-thiomorpholin-4-yl-phenyl)-7-pyridin-2-yl-pyrrolo[2,3-d]pyrimidin-2-amine Openeye Name: N-(2-methoxy-4-thiomorpholino-phenyl)-7-(2-pyridyl)pyrrolo[2,3-d]pyrimidin-2-amine CAS Name: N-(2-methoxy-4-thiomorpholin-4-ylphenyl)-7-(2-pyridinyl)-2-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: N-(2-methoxy-4-thiomorpholin-4-ylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine Traditional Name: (2-methoxy-4-thiomorpholino-phenyl)-[7-(2-pyridyl)pyrrolo[2,3-d]pyrimidin-2-yl]amine Formula: C22H22N6OS MolecularWeight: 418.51468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N2CCSCC2)NC3=NC=C4C=CN(C4=N3)C5=CC=CC=N5

Isomeric SMILES

COC1=C(C=CC(=C1)N2CCSCC2)NC3=NC=C4C=CN(C4=N3)C5=CC=CC=N5

InChI

InChI=1S/C22H22N6OS/c1-29-19-14-17(27-10-12-30-13-11-27)5-6-18(19)25-22-24-15-16-7-9-28(21(16)26-22)20-4-2-3-8-23-20/h2-9,14-15H,10-13H2,1H3,(H,24,25,26)