2-[(6-chloranyl-1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]benzenecarbonitrile

Systemtic Name: 2-[(6-chloranyl-1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]benzenecarbonitrile Openeye Name: 2-[(6-chloro-1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]benzonitrile CAS Name: 2-[(6-chloro-1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)methyl]benzonitrile IUPAC Name: 2-[(6-chloro-1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)methyl]benzonitrile Traditional Name: 2-[(6-chloro-4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]benzonitrile Formula: C14H10ClN5O MolecularWeight: 299.7151

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C(=N2)Cl)CC3=CC=CC=C3C#N

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C(=N2)Cl)CC3=CC=CC=C3C#N

InChI

InChI=1S/C14H10ClN5O/c1-19-12-11(7-17-19)13(21)20(14(15)18-12)8-10-5-3-2-4-9(10)6-16/h2-5,7H,8H2,1H3