4-[(1,3-dimethyl-5-propan-2-yl-pyrazolo[4,3-d]pyrimidin-7-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[(1,3-dimethyl-5-propan-2-yl-pyrazolo[4,3-d]pyrimidin-7-yl)amino]benzenecarbonitrile Openeye Name: 4-[(5-isopropyl-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-yl)amino]benzonitrile CAS Name: 4-[(1,3-dimethyl-5-propan-2-yl-7-pyrazolo[4,3-d]pyrimidinyl)amino]benzonitrile IUPAC Name: 4-[(1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)amino]benzonitrile Traditional Name: 4-[(5-isopropyl-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-yl)amino]benzonitrile Formula: C17H18N6 MolecularWeight: 306.36502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N=C(N=C2NC3=CC=C(C=C3)C#N)C(C)C)C

Isomeric SMILES

CC1=NN(C2=C1N=C(N=C2NC3=CC=C(C=C3)C#N)C(C)C)C

InChI

InChI=1S/C17H18N6/c1-10(2)16-20-14-11(3)22-23(4)15(14)17(21-16)19-13-7-5-12(9-18)6-8-13/h5-8,10H,1-4H3,(H,19,20,21)