4-[(6-ethyl-1,3-dimethyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-5-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[(6-ethyl-1,3-dimethyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-5-yl)amino]benzenecarbonitrile Openeye Name: 4-[(6-ethyl-1,3-dimethyl-7-oxo-pyrazolo[4,3-d]pyrimidin-5-yl)amino]benzonitrile CAS Name: 4-[(6-ethyl-1,3-dimethyl-7-oxo-5-pyrazolo[4,3-d]pyrimidinyl)amino]benzonitrile IUPAC Name: 4-[(6-ethyl-1,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl)amino]benzonitrile Traditional Name: 4-[(6-ethyl-7-keto-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-5-yl)amino]benzonitrile Formula: C16H16N6O MolecularWeight: 308.33784

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C(=NN2C)C)N=C1NC3=CC=C(C=C3)C#N

Isomeric SMILES

CCN1C(=O)C2=C(C(=NN2C)C)N=C1NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H16N6O/c1-4-22-15(23)14-13(10(2)20-21(14)3)19-16(22)18-12-7-5-11(9-17)6-8-12/h5-8H,4H2,1-3H3,(H,18,19)