sodium [4-(2-azanyl-6-chloranyl-7H-purin-8-yl)-2-(hydroxymethyl)butyl] hydrogen phosphate

Systemtic Name: sodium [4-(2-azanyl-6-chloranyl-7H-purin-8-yl)-2-(hydroxymethyl)butyl] hydrogen phosphate Openeye Name: sodium [4-(2-amino-6-chloro-7H-purin-8-yl)-2-(hydroxymethyl)butyl] hydrogen phosphate CAS Name: sodium [4-(2-amino-6-chloro-7H-purin-8-yl)-2-(hydroxymethyl)butyl] hydrogen phosphate IUPAC Name: sodium [4-(2-amino-6-chloro-7H-purin-8-yl)-2-(hydroxymethyl)butyl] hydrogen phosphate Traditional Name: sodium [4-(2-amino-6-chloro-7H-purin-8-yl)-2-methylol-butyl] hydrogen phosphate Formula: C10H14ClN5NaO5P MolecularWeight: 373.665191

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(CO)COP(=O)(O)[O-])C1=NC2=C(N1)C(=NC(=N2)N)Cl.[Na+]

Isomeric SMILES

C(CC(CO)COP(=O)(O)[O-])C1=NC2=C(N1)C(=NC(=N2)N)Cl.[Na+]

InChI

InChI=1S/C10H15ClN5O5P.Na/c11-8-7-9(16-10(12)15-8)14-6(13-7)2-1-5(3-17)4-21-22(18,19)20;/h5,17H,1-4H2,(H2,18,19,20)(H3,12,13,14,15,16);/q;+1/p-1