diethyl 2-(2-azanyl-6-chloranyl-purin-9-yl)-3-bromanyl-cyclopropane-1,1-dicarboxylate

Systemtic Name: diethyl 2-(2-azanyl-6-chloranyl-purin-9-yl)-3-bromanyl-cyclopropane-1,1-dicarboxylate Openeye Name: diethyl 2-(2-amino-6-chloro-purin-9-yl)-3-bromo-cyclopropane-1,1-dicarboxylate CAS Name: 2-(2-amino-6-chloro-9-purinyl)-3-bromocyclopropane-1,1-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(2-amino-6-chloropurin-9-yl)-3-bromocyclopropane-1,1-dicarboxylate Traditional Name: 2-(2-amino-6-chloro-purin-9-yl)-3-bromo-cyclopropane-1,1-dicarboxylic acid diethyl ester Formula: C14H15BrClN5O4 MolecularWeight: 432.657

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(C1Br)N2C=NC3=C2N=C(N=C3Cl)N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(C(C1Br)N2C=NC3=C2N=C(N=C3Cl)N)C(=O)OCC

InChI

InChI=1S/C14H15BrClN5O4/c1-3-24-11(22)14(12(23)25-4-2)7(15)8(14)21-5-18-6-9(16)19-13(17)20-10(6)21/h5,7-8H,3-4H2,1-2H3,(H2,17,19,20)