methyl 2-[[4-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)phenyl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[4-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)phenyl]carbonylamino]ethanoate Openeye Name: methyl 2-[[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzoyl]amino]acetate CAS Name: 2-[[[4-(4-amino-1-pyrazolo[3,4-d]pyrimidinyl)phenyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzoyl]amino]acetate Traditional Name: 2-[[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzoyl]amino]acetic acid methyl ester Formula: C15H14N6O3 MolecularWeight: 326.31006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N6O3/c1-24-12(22)7-17-15(23)9-2-4-10(5-3-9)21-14-11(6-20-21)13(16)18-8-19-14/h2-6,8H,7H2,1H3,(H,17,23)(H2,16,18,19)