N-[5-ethynyl-4-methyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-2,2-dimethyl-propanamide

Systemtic Name: N-[5-ethynyl-4-methyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-2,2-dimethyl-propanamide Openeye Name: N-(7-benzyl-5-ethynyl-4-methyl-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethyl-propanamide CAS Name: N-[5-ethynyl-4-methyl-7-(phenylmethyl)-2-pyrrolo[2,3-d]pyrimidinyl]-2,2-dimethylpropanamide IUPAC Name: N-(7-benzyl-5-ethynyl-4-methylpyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide Traditional Name: N-(7-benzyl-5-ethynyl-4-methyl-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethyl-propionamide Formula: C21H22N4O MolecularWeight: 346.42558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CN(C2=NC(=N1)NC(=O)C(C)(C)C)CC3=CC=CC=C3)C#C

Isomeric SMILES

CC1=C2C(=CN(C2=NC(=N1)NC(=O)C(C)(C)C)CC3=CC=CC=C3)C#C

InChI

InChI=1S/C21H22N4O/c1-6-16-13-25(12-15-10-8-7-9-11-15)18-17(16)14(2)22-20(23-18)24-19(26)21(3,4)5/h1,7-11,13H,12H2,2-5H3,(H,22,23,24,26)