3-[[6-azanyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[6-azanyl-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[6-amino-4-(2-furyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]benzonitrile CAS Name: 3-[[6-amino-4-(2-furanyl)-1-pyrazolo[3,4-d]pyrimidinyl]methyl]benzonitrile IUPAC Name: 3-[[6-amino-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]benzonitrile Traditional Name: 3-[[6-amino-4-(2-furyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]benzonitrile Formula: C17H12N6O MolecularWeight: 316.31678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C3=NC(=NC(=C3C=N2)C4=CC=CO4)N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CN2C3=NC(=NC(=C3C=N2)C4=CC=CO4)N)C#N

InChI

InChI=1S/C17H12N6O/c18-8-11-3-1-4-12(7-11)10-23-16-13(9-20-23)15(21-17(19)22-16)14-5-2-6-24-14/h1-7,9H,10H2,(H2,19,21,22)