ethyl 3-[(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoate

Systemtic Name: ethyl 3-[(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoate Openeye Name: ethyl 3-[(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoate CAS Name: 3-[(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoate Traditional Name: 3-[(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoic acid ethyl ester Formula: C17H18N4O2 MolecularWeight: 310.35042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=NC=NC3=C2C(=C(N3)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=NC=NC3=C2C(=C(N3)C)C

InChI

InChI=1S/C17H18N4O2/c1-4-23-17(22)12-6-5-7-13(8-12)21-16-14-10(2)11(3)20-15(14)18-9-19-16/h5-9H,4H2,1-3H3,(H2,18,19,20,21)