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

Systemtic Name: ethyl 4-(4-azanyl-5-iodanyl-7H-pyrrolo[3,4-d]pyrimidin-7-yl)cyclohexane-1-carboxylate Openeye Name: ethyl 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-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 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)cyclohexanecarboxylic acid ethyl ester Formula: C15H19IN4O2 MolecularWeight: 414.24143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)C2C3=C(C(=NC=N3)N)C(=N2)I

Isomeric SMILES

CCOC(=O)C1CCC(CC1)C2C3=C(C(=NC=N3)N)C(=N2)I

InChI

InChI=1S/C15H19IN4O2/c1-2-22-15(21)9-5-3-8(4-6-9)11-12-10(13(16)20-11)14(17)19-7-18-12/h7-9,11H,2-6H2,1H3,(H2,17,18,19)