diethyl 2-(2-azanyl-6-iodanyl-purin-9-yl)cyclopropane-1,1-dicarboxylate

Systemtic Name: diethyl 2-(2-azanyl-6-iodanyl-purin-9-yl)cyclopropane-1,1-dicarboxylate Openeye Name: diethyl 2-(2-amino-6-iodo-purin-9-yl)cyclopropane-1,1-dicarboxylate CAS Name: 2-(2-amino-6-iodo-9-purinyl)cyclopropane-1,1-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(2-amino-6-iodopurin-9-yl)cyclopropane-1,1-dicarboxylate Traditional Name: 2-(2-amino-6-iodo-purin-9-yl)cyclopropane-1,1-dicarboxylic acid diethyl ester Formula: C14H16IN5O4 MolecularWeight: 445.21241

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC1N2C=NC3=C2N=C(N=C3I)N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(CC1N2C=NC3=C2N=C(N=C3I)N)C(=O)OCC

InChI

InChI=1S/C14H16IN5O4/c1-3-23-11(21)14(12(22)24-4-2)5-7(14)20-6-17-8-9(15)18-13(16)19-10(8)20/h6-7H,3-5H2,1-2H3,(H2,16,18,19)