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

Systemtic Name: 5-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)-2-chloranyl-N-methyl-benzamide Openeye Name: 5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-chloro-N-methyl-benzamide CAS Name: 5-(4-amino-1-pyrazolo[3,4-d]pyrimidinyl)-2-chloro-N-methylbenzamide IUPAC Name: 5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-chloro-N-methylbenzamide Traditional Name: 5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-chloro-N-methyl-benzamide Formula: C13H11ClN6O MolecularWeight: 302.71904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClN6O/c1-16-13(21)8-4-7(2-3-10(8)14)20-12-9(5-19-20)11(15)17-6-18-12/h2-6H,1H3,(H,16,21)(H2,15,17,18)