3-[5-(dipropylamino)-1-methyl-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-3-yl]benzenecarbonitrile

Systemtic Name: 3-[5-(dipropylamino)-1-methyl-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-3-yl]benzenecarbonitrile Openeye Name: 3-[5-(dipropylamino)-1-methyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-3-yl]benzonitrile CAS Name: 3-[5-(dipropylamino)-1-methyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-3-yl]benzonitrile IUPAC Name: 3-[5-(dipropylamino)-1-methyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-3-yl]benzonitrile Traditional Name: 3-[5-(dipropylamino)-7-keto-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-3-yl]benzonitrile Formula: C19H22N6O MolecularWeight: 350.41758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=NC(=O)C2=C(N1)C(=NN2C)C3=CC=CC(=C3)C#N

Isomeric SMILES

CCCN(CCC)C1=NC(=O)C2=C(N1)C(=NN2C)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H22N6O/c1-4-9-25(10-5-2)19-21-16-15(14-8-6-7-13(11-14)12-20)23-24(3)17(16)18(26)22-19/h6-8,11H,4-5,9-10H2,1-3H3,(H,21,22,26)