methyl 4-[2-[(5-methoxy-2-methyl-phenyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]benzoate

Systemtic Name: methyl 4-[2-[(5-methoxy-2-methyl-phenyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]benzoate Openeye Name: methyl 4-[2-(5-methoxy-2-methyl-anilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoate CAS Name: 4-[2-(5-methoxy-2-methylanilino)-7-pyrrolo[2,3-d]pyrimidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(5-methoxy-2-methylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoate Traditional Name: 4-[2-(5-methoxy-2-methyl-anilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzoic acid methyl ester Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC)NC2=NC=C3C=CN(C3=N2)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)OC)NC2=NC=C3C=CN(C3=N2)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C22H20N4O3/c1-14-4-9-18(28-2)12-19(14)24-22-23-13-16-10-11-26(20(16)25-22)17-7-5-15(6-8-17)21(27)29-3/h4-13H,1-3H3,(H,23,24,25)