propan-2-yl 4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate

Systemtic Name: propan-2-yl 4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate Openeye Name: isopropyl 4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate CAS Name: 4-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate Traditional Name: 4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoic acid isopropyl ester Formula: C16H17N5O2 MolecularWeight: 311.33848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC2=NC=NC3=C2C=NN3C

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC2=NC=NC3=C2C=NN3C

InChI

InChI=1S/C16H17N5O2/c1-10(2)23-16(22)11-4-6-12(7-5-11)20-14-13-8-19-21(3)15(13)18-9-17-14/h4-10H,1-3H3,(H,17,18,20)