2-[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]-N-methyl-ethanamide

Systemtic Name: 2-[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]-N-methyl-ethanamide Openeye Name: 2-[4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]-N-methyl-acetamide CAS Name: 2-[4-[4-amino-5-(4-phenoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]cyclohexyl]-N-methylacetamide IUPAC Name: 2-[4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]-N-methylacetamide Traditional Name: 2-[4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]-N-methyl-acetamide Formula: C27H29N5O2 MolecularWeight: 455.55146

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CC1CCC(CC1)N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CNC(=O)CC1CCC(CC1)N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C27H29N5O2/c1-29-24(33)15-18-7-11-20(12-8-18)32-16-23(25-26(28)30-17-31-27(25)32)19-9-13-22(14-10-19)34-21-5-3-2-4-6-21/h2-6,9-10,13-14,16-18,20H,7-8,11-12,15H2,1H3,(H,29,33)(H2,28,30,31)