4-cyano-N-[4-(1,3,5-trimethyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-6-yl)phenyl]benzamide

Systemtic Name: 4-cyano-N-[4-(1,3,5-trimethyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-6-yl)phenyl]benzamide Openeye Name: 4-cyano-N-[4-(1,3,5-trimethyl-7-oxo-pyrazolo[4,3-d]pyrimidin-6-yl)phenyl]benzamide CAS Name: 4-cyano-N-[4-(1,3,5-trimethyl-7-oxo-6-pyrazolo[4,3-d]pyrimidinyl)phenyl]benzamide IUPAC Name: 4-cyano-N-[4-(1,3,5-trimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)phenyl]benzamide Traditional Name: 4-cyano-N-[4-(7-keto-1,3,5-trimethyl-pyrazolo[4,3-d]pyrimidin-6-yl)phenyl]benzamide Formula: C22H18N6O2 MolecularWeight: 398.41732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N=C(N(C2=O)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)C#N)C)C

Isomeric SMILES

CC1=NN(C2=C1N=C(N(C2=O)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)C#N)C)C

InChI

InChI=1S/C22H18N6O2/c1-13-19-20(27(3)26-13)22(30)28(14(2)24-19)18-10-8-17(9-11-18)25-21(29)16-6-4-15(12-23)5-7-16/h4-11H,1-3H3,(H,25,29)