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

Systemtic Name: dimethyl 3-(2-azanyl-6-chloranyl-purin-9-yl)-2,2-bis(chloranyl)cyclopropane-1,1-dicarboxylate Openeye Name: dimethyl 3-(2-amino-6-chloro-purin-9-yl)-2,2-dichloro-cyclopropane-1,1-dicarboxylate CAS Name: 3-(2-amino-6-chloro-9-purinyl)-2,2-dichlorocyclopropane-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-(2-amino-6-chloropurin-9-yl)-2,2-dichlorocyclopropane-1,1-dicarboxylate Traditional Name: 3-(2-amino-6-chloro-purin-9-yl)-2,2-dichloro-cyclopropane-1,1-dicarboxylic acid dimethyl ester Formula: C12H10Cl3N5O4 MolecularWeight: 394.5979

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(C1(Cl)Cl)N2C=NC3=C2N=C(N=C3Cl)N)C(=O)OC

Isomeric SMILES

COC(=O)C1(C(C1(Cl)Cl)N2C=NC3=C2N=C(N=C3Cl)N)C(=O)OC

InChI

InChI=1S/C12H10Cl3N5O4/c1-23-8(21)11(9(22)24-2)7(12(11,14)15)20-3-17-4-5(13)18-10(16)19-6(4)20/h3,7H,1-2H3,(H2,16,18,19)