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

Systemtic Name: 2-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2-piperazin-1-ylethyl)ethanamide Openeye Name: 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2-piperazin-1-ylethyl)acetamide CAS Name: 2-[4-amino-5-(4-phenoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]-N-[2-(1-piperazinyl)ethyl]acetamide IUPAC Name: 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2-piperazin-1-ylethyl)acetamide Traditional Name: 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2-piperazinoethyl)acetamide Formula: C26H29N7O2 MolecularWeight: 471.55416

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCNC(=O)CN2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1)CCNC(=O)CN2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C26H29N7O2/c27-25-24-22(19-6-8-21(9-7-19)35-20-4-2-1-3-5-20)16-33(26(24)31-18-30-25)17-23(34)29-12-15-32-13-10-28-11-14-32/h1-9,16,18,28H,10-15,17H2,(H,29,34)(H2,27,30,31)