4-(3-methyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)-2-(oxan-4-ylamino)benzenecarbonitrile

Systemtic Name: 4-(3-methyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)-2-(oxan-4-ylamino)benzenecarbonitrile Openeye Name: 4-(3-methyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)-2-(tetrahydropyran-4-ylamino)benzonitrile CAS Name: 4-(3-methyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)-2-(4-oxanylamino)benzonitrile IUPAC Name: 4-(3-methyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)-2-(oxan-4-ylamino)benzonitrile Traditional Name: 4-(4-keto-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-1-yl)-2-(tetrahydropyran-4-ylamino)benzonitrile Formula: C18H18N6O2 MolecularWeight: 350.37452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC=NC2=O)N(N1)C3=CC(=C(C=C3)C#N)NC4CCOCC4

Isomeric SMILES

CC1=C2C(=NC=NC2=O)N(N1)C3=CC(=C(C=C3)C#N)NC4CCOCC4

InChI

InChI=1S/C18H18N6O2/c1-11-16-17(20-10-21-18(16)25)24(23-11)14-3-2-12(9-19)15(8-14)22-13-4-6-26-7-5-13/h2-3,8,10,13,22-23H,4-7H2,1H3