4-(4-azanyl-3-iodanyl-pyrazolo[3,4-d]pyrimidin-1-yl)benzaldehyde

Systemtic Name: 4-(4-azanyl-3-iodanyl-pyrazolo[3,4-d]pyrimidin-1-yl)benzaldehyde Openeye Name: 4-(4-amino-3-iodo-pyrazolo[3,4-d]pyrimidin-1-yl)benzaldehyde CAS Name: 4-(4-amino-3-iodo-1-pyrazolo[3,4-d]pyrimidinyl)benzaldehyde IUPAC Name: 4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)benzaldehyde Traditional Name: 4-(4-amino-3-iodo-pyrazolo[3,4-d]pyrimidin-1-yl)benzaldehyde Formula: C12H8IN5O MolecularWeight: 365.12929

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=O)N2C3=C(C(=NC=N3)N)C(=N2)I

Isomeric SMILES

C1=CC(=CC=C1C=O)N2C3=C(C(=NC=N3)N)C(=N2)I

InChI

InChI=1S/C12H8IN5O/c13-10-9-11(14)15-6-16-12(9)18(17-10)8-3-1-7(5-19)2-4-8/h1-6H,(H2,14,15,16)