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

Systemtic Name: ethyl 2-(4-azanyl-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)-5-(3-chloranylphenoxy)benzoate Openeye Name: ethyl 2-(4-amino-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)-5-(3-chlorophenoxy)benzoate CAS Name: 2-(4-amino-7-tert-butyl-5-pyrrolo[2,3-d]pyrimidinyl)-5-(3-chlorophenoxy)benzoic acid ethyl ester IUPAC Name: ethyl 2-(4-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)-5-(3-chlorophenoxy)benzoate Traditional Name: 2-(4-amino-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)-5-(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)OC2=CC(=CC=C2)Cl)C3=CN(C4=C3C(=NC=N4)N)C(C)(C)C

Isomeric SMILES

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

InChI

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