ethyl 4-[2-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[4-amino-5-(4-phenoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C27H28N6O4 MolecularWeight: 500.54902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CN2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C27H28N6O4/c1-2-36-27(35)32-14-12-31(13-15-32)23(34)17-33-16-22(24-25(28)29-18-30-26(24)33)19-8-10-21(11-9-19)37-20-6-4-3-5-7-20/h3-11,16,18H,2,12-15,17H2,1H3,(H2,28,29,30)