dimethyl (1S,2R,3R)-3-(6-aminopurin-9-yl)cyclobutane-1,2-dicarboxylate

Systemtic Name: dimethyl (1S,2R,3R)-3-(6-aminopurin-9-yl)cyclobutane-1,2-dicarboxylate Openeye Name: dimethyl (1S,2R,3R)-3-(6-aminopurin-9-yl)cyclobutane-1,2-dicarboxylate CAS Name: (1S,2R,3R)-3-(6-aminopurin-9-yl)cyclobutane-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1S,2R,3R)-3-(6-aminopurin-9-yl)cyclobutane-1,2-dicarboxylate Traditional Name: (1S,2R,3R)-3-adenin-9-ylcyclobutane-1,2-dicarboxylic acid dimethyl ester Formula: C13H15N5O4 MolecularWeight: 305.2893

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C1C(=O)OC)N2C=NC3=C2N=CN=C3N

Isomeric SMILES

COC(=O)[C@H]1C[C@H]([C@@H]1C(=O)OC)N2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C13H15N5O4/c1-21-12(19)6-3-7(8(6)13(20)22-2)18-5-17-9-10(14)15-4-16-11(9)18/h4-8H,3H2,1-2H3,(H2,14,15,16)/t6-,7+,8+/m0/s1