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

Systemtic Name: diethyl 3-(2-azanyl-6-chloranyl-purin-9-yl)-2,2-bis(chloranyl)cyclopropane-1,1-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C14H14Cl3N5O4 MolecularWeight: 422.65106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14Cl3N5O4/c1-3-25-10(23)13(11(24)26-4-2)9(14(13,16)17)22-5-19-6-7(15)20-12(18)21-8(6)22/h5,9H,3-4H2,1-2H3,(H2,18,20,21)