methyl 4-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]benzoate Openeye Name: methyl 4-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]benzoate CAS Name: 4-[2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]benzoate Traditional Name: 4-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]benzoic acid methyl ester Formula: C21H19N5O2 MolecularWeight: 373.40786

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCNC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCNC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H19N5O2/c1-28-21(27)16-9-7-15(8-10-16)11-12-22-19-18-13-25-26(20(18)24-14-23-19)17-5-3-2-4-6-17/h2-10,13-14H,11-12H2,1H3,(H,22,23,24)