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

Systemtic Name: dimethyl 3-(2-azanyl-6-chloranyl-purin-9-yl)cyclobutane-1,2-dicarboxylate Openeye Name: dimethyl 3-(2-amino-6-chloro-purin-9-yl)cyclobutane-1,2-dicarboxylate CAS Name: 3-(2-amino-6-chloro-9-purinyl)cyclobutane-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-(2-amino-6-chloropurin-9-yl)cyclobutane-1,2-dicarboxylate Traditional Name: 3-(2-amino-6-chloro-purin-9-yl)cyclobutane-1,2-dicarboxylic acid dimethyl ester Formula: C13H14ClN5O4 MolecularWeight: 339.73436

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C1C(=O)OC)N2C=NC3=C2N=C(N=C3Cl)N

Isomeric SMILES

COC(=O)C1CC(C1C(=O)OC)N2C=NC3=C2N=C(N=C3Cl)N

InChI

InChI=1S/C13H14ClN5O4/c1-22-11(20)5-3-6(7(5)12(21)23-2)19-4-16-8-9(14)17-13(15)18-10(8)19/h4-7H,3H2,1-2H3,(H2,15,17,18)