4-(2-azanyl-6-chloranyl-purin-9-yl)-2-(hydroxymethyl)butanoic acid

Systemtic Name: 4-(2-azanyl-6-chloranyl-purin-9-yl)-2-(hydroxymethyl)butanoic acid Openeye Name: 4-(2-amino-6-chloro-purin-9-yl)-2-(hydroxymethyl)butanoic acid CAS Name: 4-(2-amino-6-chloro-9-purinyl)-2-(hydroxymethyl)butanoic acid IUPAC Name: 4-(2-amino-6-chloropurin-9-yl)-2-(hydroxymethyl)butanoic acid Traditional Name: 4-(2-amino-6-chloro-purin-9-yl)-2-methylol-butyric acid Formula: C10H12ClN5O3 MolecularWeight: 285.68698

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCC(CO)C(=O)O)N=C(N=C2Cl)N

Isomeric SMILES

C1=NC2=C(N1CCC(CO)C(=O)O)N=C(N=C2Cl)N

InChI

InChI=1S/C10H12ClN5O3/c11-7-6-8(15-10(12)14-7)16(4-13-6)2-1-5(3-17)9(18)19/h4-5,17H,1-3H2,(H,18,19)(H2,12,14,15)