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

Systemtic Name: 2-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-methyl-propanamide Openeye Name: 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-methyl-propanamide CAS Name: 2-[4-amino-5-(4-phenoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]-2-methylpropanamide IUPAC Name: 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-methylpropanamide Traditional Name: 2-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-2-methyl-propionamide Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N)N1C=C(C2=C1N=CN=C2N)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C)(C(=O)N)N1C=C(C2=C1N=CN=C2N)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H21N5O2/c1-22(2,21(24)28)27-12-17(18-19(23)25-13-26-20(18)27)14-8-10-16(11-9-14)29-15-6-4-3-5-7-15/h3-13H,1-2H3,(H2,24,28)(H2,23,25,26)