5-(3-phenylmethoxyphenyl)-7-(4-thiomorpholin-4-ylcyclohexyl)pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: 5-(3-phenylmethoxyphenyl)-7-(4-thiomorpholin-4-ylcyclohexyl)pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 5-(3-benzyloxyphenyl)-7-(4-thiomorpholinocyclohexyl)pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 5-(3-phenylmethoxyphenyl)-7-(4-thiomorpholin-4-ylcyclohexyl)-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 5-(3-phenylmethoxyphenyl)-7-(4-thiomorpholin-4-ylcyclohexyl)pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [5-(3-benzoxyphenyl)-7-(4-thiomorpholinocyclohexyl)pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C29H33N5OS MolecularWeight: 499.67022

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2CCSCC2)N3C=C(C4=C3N=CN=C4N)C5=CC(=CC=C5)OCC6=CC=CC=C6

Isomeric SMILES

C1CC(CCC1N2CCSCC2)N3C=C(C4=C3N=CN=C4N)C5=CC(=CC=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C29H33N5OS/c30-28-27-26(22-7-4-8-25(17-22)35-19-21-5-2-1-3-6-21)18-34(29(27)32-20-31-28)24-11-9-23(10-12-24)33-13-15-36-16-14-33/h1-8,17-18,20,23-24H,9-16,19H2,(H2,30,31,32)