2-[(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]pentanedinitrile

Systemtic Name: 2-[(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]pentanedinitrile Openeye Name: 2-[(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]pentanedinitrile CAS Name: 2-[(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)methyl]pentanedinitrile IUPAC Name: 2-[(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)methyl]pentanedinitrile Traditional Name: 2-[(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]glutaronitrile Formula: C12H12N6O MolecularWeight: 256.26328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC(CCC#N)C#N

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC(CCC#N)C#N

InChI

InChI=1S/C12H12N6O/c1-17-11-10(6-16-17)12(19)18(8-15-11)7-9(5-14)3-2-4-13/h6,8-9H,2-3,7H2,1H3