4-(4-azanyl-3-iodanyl-pyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-one hydrochloride

Systemtic Name: 4-(4-azanyl-3-iodanyl-pyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-one hydrochloride Openeye Name: 4-(4-amino-3-iodo-pyrazolo[3,4-d]pyrimidin-1-yl)cyclohexanone hydrochloride CAS Name: 4-(4-amino-3-iodo-1-pyrazolo[3,4-d]pyrimidinyl)-1-cyclohexanone hydrochloride IUPAC Name: 4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)cyclohexan-1-one hydrochloride Traditional Name: 4-(4-amino-3-iodo-pyrazolo[3,4-d]pyrimidin-1-yl)cyclohexanone hydrochloride Formula: C11H13ClIN5O MolecularWeight: 393.61129

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)CCC1N2C3=C(C(=NC=N3)N)C(=N2)I.Cl

Isomeric SMILES

C1CC(=O)CCC1N2C3=C(C(=NC=N3)N)C(=N2)I.Cl

InChI

InChI=1S/C11H12IN5O.ClH/c12-9-8-10(13)14-5-15-11(8)17(16-9)6-1-3-7(18)4-2-6;/h5-6H,1-4H2,(H2,13,14,15);1H