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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)C2=CN(C3=C2C(=NC=N3)N)C(C)(C)C)OC4=CC(=CC=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)C2=CN(C3=C2C(=NC=N3)N)C(C)(C)C)OC4=CC(=CC=C4)Cl

InChI

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