(6-cyano-7-methyl-2-phenyl-pyrrolo[2,3-d]pyrimidin-5-yl) 4-methylbenzenesulfonate

Systemtic Name: (6-cyano-7-methyl-2-phenyl-pyrrolo[2,3-d]pyrimidin-5-yl) 4-methylbenzenesulfonate Openeye Name: (6-cyano-7-methyl-2-phenyl-pyrrolo[2,3-d]pyrimidin-5-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-cyano-7-methyl-2-phenyl-5-pyrrolo[2,3-d]pyrimidinyl) ester IUPAC Name: (6-cyano-7-methyl-2-phenylpyrrolo[2,3-d]pyrimidin-5-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-cyano-7-methyl-2-phenyl-pyrrolo[2,3-d]pyrimidin-5-yl) ester Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(N(C3=NC(=NC=C23)C4=CC=CC=C4)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(N(C3=NC(=NC=C23)C4=CC=CC=C4)C)C#N

InChI

InChI=1S/C21H16N4O3S/c1-14-8-10-16(11-9-14)29(26,27)28-19-17-13-23-20(15-6-4-3-5-7-15)24-21(17)25(2)18(19)12-22/h3-11,13H,1-2H3