dimethyl 3-(2-azanyl-6-methoxy-purin-9-yl)-2,2-bis(chloranyl)cyclopropane-1,1-dicarboxylate

Systemtic Name: dimethyl 3-(2-azanyl-6-methoxy-purin-9-yl)-2,2-bis(chloranyl)cyclopropane-1,1-dicarboxylate Openeye Name: dimethyl 3-(2-amino-6-methoxy-purin-9-yl)-2,2-dichloro-cyclopropane-1,1-dicarboxylate CAS Name: 3-(2-amino-6-methoxy-9-purinyl)-2,2-dichlorocyclopropane-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-(2-amino-6-methoxypurin-9-yl)-2,2-dichlorocyclopropane-1,1-dicarboxylate Traditional Name: 3-(2-amino-6-methoxy-purin-9-yl)-2,2-dichloro-cyclopropane-1,1-dicarboxylic acid dimethyl ester Formula: C13H13Cl2N5O5 MolecularWeight: 390.17882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC2=C1N=CN2C3C(C3(Cl)Cl)(C(=O)OC)C(=O)OC)N

Isomeric SMILES

COC1=NC(=NC2=C1N=CN2C3C(C3(Cl)Cl)(C(=O)OC)C(=O)OC)N

InChI

InChI=1S/C13H13Cl2N5O5/c1-23-7-5-6(18-11(16)19-7)20(4-17-5)8-12(9(21)24-2,10(22)25-3)13(8,14)15/h4,8H,1-3H3,(H2,16,18,19)