ethyl 2-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]ethanoate

Systemtic Name: ethyl 2-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]ethanoate Openeye Name: ethyl 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]acetate CAS Name: 2-[4-amino-5-(4-phenoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]acetate Traditional Name: 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]acetic acid ethyl ester Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=C(C2=C1N=CN=C2N)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CN1C=C(C2=C1N=CN=C2N)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H20N4O3/c1-2-28-19(27)13-26-12-18(20-21(23)24-14-25-22(20)26)15-8-10-17(11-9-15)29-16-6-4-3-5-7-16/h3-12,14H,2,13H2,1H3,(H2,23,24,25)