triethyl 3-[2-chloranyl-6-(methylamino)purin-9-yl]propane-1,1,1-tricarboxylate

Systemtic Name: triethyl 3-[2-chloranyl-6-(methylamino)purin-9-yl]propane-1,1,1-tricarboxylate Openeye Name: triethyl 3-[2-chloro-6-(methylamino)purin-9-yl]propane-1,1,1-tricarboxylate CAS Name: 3-[2-chloro-6-(methylamino)-9-purinyl]propane-1,1,1-tricarboxylic acid triethyl ester IUPAC Name: triethyl 3-[2-chloro-6-(methylamino)purin-9-yl]propane-1,1,1-tricarboxylate Traditional Name: 3-[2-chloro-6-(methylamino)purin-9-yl]propane-1,1,1-tricarboxylic acid triethyl ester Formula: C18H24ClN5O6 MolecularWeight: 441.86606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCN1C=NC2=C1N=C(N=C2NC)Cl)(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCN1C=NC2=C1N=C(N=C2NC)Cl)(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C18H24ClN5O6/c1-5-28-14(25)18(15(26)29-6-2,16(27)30-7-3)8-9-24-10-21-11-12(20-4)22-17(19)23-13(11)24/h10H,5-9H2,1-4H3,(H,20,22,23)