dimethyl 2-(2-azanylpurin-9-yl)cyclopropane-1,1-dicarboxylate

Systemtic Name: dimethyl 2-(2-azanylpurin-9-yl)cyclopropane-1,1-dicarboxylate Openeye Name: dimethyl 2-(2-aminopurin-9-yl)cyclopropane-1,1-dicarboxylate CAS Name: 2-(2-amino-9-purinyl)cyclopropane-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(2-aminopurin-9-yl)cyclopropane-1,1-dicarboxylate Traditional Name: 2-(2-aminopurin-9-yl)cyclopropane-1,1-dicarboxylic acid dimethyl ester Formula: C12H13N5O4 MolecularWeight: 291.26272

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC1N2C=NC3=CN=C(N=C32)N)C(=O)OC

Isomeric SMILES

COC(=O)C1(CC1N2C=NC3=CN=C(N=C32)N)C(=O)OC

InChI

InChI=1S/C12H13N5O4/c1-20-9(18)12(10(19)21-2)3-7(12)17-5-15-6-4-14-11(13)16-8(6)17/h4-5,7H,3H2,1-2H3,(H2,13,14,16)