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

Systemtic Name: ethyl 3-[4-(4-azanyl-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-chloranyl-phenoxy]benzoate Openeye Name: ethyl 3-[4-(4-amino-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-chloro-phenoxy]benzoate CAS Name: 3-[4-(4-amino-7-tert-butyl-5-pyrrolo[2,3-d]pyrimidinyl)-2-chlorophenoxy]benzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(4-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)-2-chlorophenoxy]benzoate Traditional Name: 3-[4-(4-amino-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-chloro-phenoxy]benzoic acid ethyl ester Formula: C25H25ClN4O3 MolecularWeight: 464.944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25ClN4O3/c1-5-32-24(31)16-7-6-8-17(11-16)33-20-10-9-15(12-19(20)26)18-13-30(25(2,3)4)23-21(18)22(27)28-14-29-23/h6-14H,5H2,1-4H3,(H2,27,28,29)