ethyl 3-[4-(4-azanyl-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]benzoate

Systemtic Name: ethyl 3-[4-(4-azanyl-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]benzoate Openeye Name: ethyl 3-[4-(4-amino-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]benzoate CAS Name: 3-[4-(4-amino-7-tert-butyl-5-pyrrolo[2,3-d]pyrimidinyl)phenoxy]benzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(4-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]benzoate Traditional Name: 3-[4-(4-amino-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]benzoic acid ethyl ester Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)OC2=CC=C(C=C2)C3=CN(C4=C3C(=NC=N4)N)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)OC2=CC=C(C=C2)C3=CN(C4=C3C(=NC=N4)N)C(C)(C)C

InChI

InChI=1S/C25H26N4O3/c1-5-31-24(30)17-7-6-8-19(13-17)32-18-11-9-16(10-12-18)20-14-29(25(2,3)4)23-21(20)22(26)27-15-28-23/h6-15H,5H2,1-4H3,(H2,26,27,28)