4-(4-azanyl-5-iodanyl-7H-pyrrolo[3,4-d]pyrimidin-7-yl)cyclohexane-1-carboxylate

Systemtic Name: 4-(4-azanyl-5-iodanyl-7H-pyrrolo[3,4-d]pyrimidin-7-yl)cyclohexane-1-carboxylate Openeye Name: 4-(4-amino-5-iodo-7H-pyrrolo[3,4-d]pyrimidin-7-yl)cyclohexanecarboxylate CAS Name: 4-(4-amino-5-iodo-7H-pyrrolo[3,4-d]pyrimidin-7-yl)-1-cyclohexanecarboxylate IUPAC Name: 4-(4-amino-5-iodo-7H-pyrrolo[3,4-d]pyrimidin-7-yl)cyclohexane-1-carboxylate Traditional Name: 4-(4-amino-5-iodo-7H-pyrrolo[3,4-d]pyrimidin-7-yl)cyclohexanecarboxylate Formula: C13H14IN4O2- MolecularWeight: 385.18033

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2C3=C(C(=NC=N3)N)C(=N2)I)C(=O)[O-]

Isomeric SMILES

C1CC(CCC1C2C3=C(C(=NC=N3)N)C(=N2)I)C(=O)[O-]

InChI

InChI=1S/C13H15IN4O2/c14-11-8-10(16-5-17-12(8)15)9(18-11)6-1-3-7(4-2-6)13(19)20/h5-7,9H,1-4H2,(H,19,20)(H2,15,16,17)/p-1