2-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(3-piperidin-1-ylpropyl)ethanamide

Systemtic Name: 2-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(3-piperidin-1-ylpropyl)ethanamide Openeye Name: 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-[3-(1-piperidyl)propyl]acetamide CAS Name: 2-[4-amino-5-(4-phenoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]-N-[3-(1-piperidinyl)propyl]acetamide IUPAC Name: 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(3-piperidin-1-ylpropyl)acetamide Traditional Name: 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(3-piperidinopropyl)acetamide Formula: C28H32N6O2 MolecularWeight: 484.59268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCNC(=O)CN2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)CCCNC(=O)CN2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H32N6O2/c29-27-26-24(21-10-12-23(13-11-21)36-22-8-3-1-4-9-22)18-34(28(26)32-20-31-27)19-25(35)30-14-7-17-33-15-5-2-6-16-33/h1,3-4,8-13,18,20H,2,5-7,14-17,19H2,(H,30,35)(H2,29,31,32)