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

Systemtic Name: 4-[(5-ethyl-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-yl)amino]benzenecarbonitrile Openeye Name: 4-[(5-ethyl-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-yl)amino]benzonitrile CAS Name: 4-[(5-ethyl-1,3-dimethyl-7-pyrazolo[4,3-d]pyrimidinyl)amino]benzonitrile IUPAC Name: 4-[(5-ethyl-1,3-dimethylpyrazolo[4,3-d]pyrimidin-7-yl)amino]benzonitrile Traditional Name: 4-[(5-ethyl-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-yl)amino]benzonitrile Formula: C16H16N6 MolecularWeight: 292.33844

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)NC3=CC=C(C=C3)C#N)N(N=C2C)C

Isomeric SMILES

CCC1=NC2=C(C(=N1)NC3=CC=C(C=C3)C#N)N(N=C2C)C

InChI

InChI=1S/C16H16N6/c1-4-13-19-14-10(2)21-22(3)15(14)16(20-13)18-12-7-5-11(9-17)6-8-12/h5-8H,4H2,1-3H3,(H,18,19,20)