methyl 5-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)-2-chloranyl-benzoate

Systemtic Name: methyl 5-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)-2-chloranyl-benzoate Openeye Name: methyl 5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-chloro-benzoate CAS Name: 5-(4-amino-1-pyrazolo[3,4-d]pyrimidinyl)-2-chlorobenzoic acid methyl ester IUPAC Name: methyl 5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-chlorobenzoate Traditional Name: 5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-chloro-benzoic acid methyl ester Formula: C13H10ClN5O2 MolecularWeight: 303.7038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)N2C3=C(C=N2)C(=NC=N3)N)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)N2C3=C(C=N2)C(=NC=N3)N)Cl

InChI

InChI=1S/C13H10ClN5O2/c1-21-13(20)8-4-7(2-3-10(8)14)19-12-9(5-18-19)11(15)16-6-17-12/h2-6H,1H3,(H2,15,16,17)