4-(6-aminopurin-9-yl)butane-1,2,3-triol

Systemtic Name: 4-(6-aminopurin-9-yl)butane-1,2,3-triol Openeye Name: 4-(6-aminopurin-9-yl)butane-1,2,3-triol CAS Name: 4-(6-aminopurin-9-yl)butane-1,2,3-triol IUPAC Name: 4-(6-aminopurin-9-yl)butane-1,2,3-triol Traditional Name: 4-adenin-9-ylbutane-1,2,3-triol Formula: C9H13N5O3 MolecularWeight: 239.23122

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2CC(C(CO)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2CC(C(CO)O)O

InChI

InChI=1S/C9H13N5O3/c10-8-7-9(12-3-11-8)14(4-13-7)1-5(16)6(17)2-15/h3-6,15-17H,1-2H2,(H2,10,11,12)