4-[(1,3-dimethyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-6-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(1,3-dimethyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-6-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(1,3-dimethyl-7-oxo-pyrazolo[4,3-d]pyrimidin-6-yl)methyl]benzonitrile CAS Name: 4-[(1,3-dimethyl-7-oxo-6-pyrazolo[4,3-d]pyrimidinyl)methyl]benzonitrile IUPAC Name: 4-[(1,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)methyl]benzonitrile Traditional Name: 4-[(7-keto-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-6-yl)methyl]benzonitrile Formula: C15H13N5O MolecularWeight: 279.29662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N=CN(C2=O)CC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=NN(C2=C1N=CN(C2=O)CC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C15H13N5O/c1-10-13-14(19(2)18-10)15(21)20(9-17-13)8-12-5-3-11(7-16)4-6-12/h3-6,9H,8H2,1-2H3