4-(2-azanyl-6-chloranyl-purin-9-yl)-2,2-bis(ethoxycarbonyl)butanoic acid

Systemtic Name: 4-(2-azanyl-6-chloranyl-purin-9-yl)-2,2-bis(ethoxycarbonyl)butanoic acid Openeye Name: 4-(2-amino-6-chloro-purin-9-yl)-2,2-bis(ethoxycarbonyl)butanoic acid CAS Name: 4-(2-amino-6-chloro-9-purinyl)-2,2-bis(ethoxycarbonyl)butanoic acid IUPAC Name: 4-(2-amino-6-chloropurin-9-yl)-2,2-bis(ethoxycarbonyl)butanoic acid Traditional Name: 4-(2-amino-6-chloro-purin-9-yl)-2,2-dicarbethoxy-butyric acid Formula: C15H18ClN5O6 MolecularWeight: 399.78632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCN1C=NC2=C1N=C(N=C2Cl)N)(C(=O)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCN1C=NC2=C1N=C(N=C2Cl)N)(C(=O)O)C(=O)OCC

InChI

InChI=1S/C15H18ClN5O6/c1-3-26-12(24)15(11(22)23,13(25)27-4-2)5-6-21-7-18-8-9(16)19-14(17)20-10(8)21/h7H,3-6H2,1-2H3,(H,22,23)(H2,17,19,20)