triethyl 3-(2-azanyl-6-chloranyl-7H-purin-9-ium-9-yl)propane-1,1,1-tricarboxylate

Systemtic Name: triethyl 3-(2-azanyl-6-chloranyl-7H-purin-9-ium-9-yl)propane-1,1,1-tricarboxylate Openeye Name: triethyl 3-(2-amino-6-chloro-7H-purin-9-ium-9-yl)propane-1,1,1-tricarboxylate CAS Name: 3-(2-amino-6-chloro-7H-purin-9-ium-9-yl)propane-1,1,1-tricarboxylic acid triethyl ester IUPAC Name: triethyl 3-(2-amino-6-chloro-7H-purin-9-ium-9-yl)propane-1,1,1-tricarboxylate Traditional Name: 3-(2-amino-6-chloro-7H-purin-9-ium-9-yl)propane-1,1,1-tricarboxylic acid triethyl ester Formula: C17H23ClN5O6+ MolecularWeight: 428.84742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC[N+]1=CNC2=C1N=C(N=C2Cl)N)(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC[N+]1=CNC2=C1N=C(N=C2Cl)N)(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C17H22ClN5O6/c1-4-27-13(24)17(14(25)28-5-2,15(26)29-6-3)7-8-23-9-20-10-11(18)21-16(19)22-12(10)23/h9H,4-8H2,1-3H3,(H2,19,21,22)/p+1