4-(2-azanyl-6-chloranyl-purin-9-yl)oxybutane-1,2-diol

Systemtic Name: 4-(2-azanyl-6-chloranyl-purin-9-yl)oxybutane-1,2-diol Openeye Name: 4-(2-amino-6-chloro-purin-9-yl)oxybutane-1,2-diol CAS Name: 4-[(2-amino-6-chloro-9-purinyl)oxy]butane-1,2-diol IUPAC Name: 4-(2-amino-6-chloropurin-9-yl)oxybutane-1,2-diol Traditional Name: 4-(2-amino-6-chloro-purin-9-yl)oxybutane-1,2-diol Formula: C9H12ClN5O3 MolecularWeight: 273.67628

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1OCCC(CO)O)N=C(N=C2Cl)N

Isomeric SMILES

C1=NC2=C(N1OCCC(CO)O)N=C(N=C2Cl)N

InChI

InChI=1S/C9H12ClN5O3/c10-7-6-8(14-9(11)13-7)15(4-12-6)18-2-1-5(17)3-16/h4-5,16-17H,1-3H2,(H2,11,13,14)