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

Systemtic Name: dimethyl 2-(2-azanyl-6-chloranyl-purin-9-yl)cyclopropane-1,1-dicarboxylate Openeye Name: dimethyl 2-(2-amino-6-chloro-purin-9-yl)cyclopropane-1,1-dicarboxylate CAS Name: 2-(2-amino-6-chloro-9-purinyl)cyclopropane-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(2-amino-6-chloropurin-9-yl)cyclopropane-1,1-dicarboxylate Traditional Name: 2-(2-amino-6-chloro-purin-9-yl)cyclopropane-1,1-dicarboxylic acid dimethyl ester Formula: C12H12ClN5O4 MolecularWeight: 325.70778

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC1N2C=NC3=C2N=C(N=C3Cl)N)C(=O)OC

Isomeric SMILES

COC(=O)C1(CC1N2C=NC3=C2N=C(N=C3Cl)N)C(=O)OC

InChI

InChI=1S/C12H12ClN5O4/c1-21-9(19)12(10(20)22-2)3-5(12)18-4-15-6-7(13)16-11(14)17-8(6)18/h4-5H,3H2,1-2H3,(H2,14,16,17)