sodium [4-(2-azanyl-6-chloranyl-purin-9-yl)-2-(hydroxymethyl)butyl] hydrogen phosphate

Systemtic Name: sodium [4-(2-azanyl-6-chloranyl-purin-9-yl)-2-(hydroxymethyl)butyl] hydrogen phosphate Openeye Name: sodium [4-(2-amino-6-chloro-purin-9-yl)-2-(hydroxymethyl)butyl] hydrogen phosphate CAS Name: sodium [4-(2-amino-6-chloro-9-purinyl)-2-(hydroxymethyl)butyl] hydrogen phosphate IUPAC Name: sodium [4-(2-amino-6-chloropurin-9-yl)-2-(hydroxymethyl)butyl] hydrogen phosphate Traditional Name: sodium [4-(2-amino-6-chloro-purin-9-yl)-2-methylol-butyl] hydrogen phosphate Formula: C10H14ClN5NaO5P MolecularWeight: 373.665191

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCC(CO)COP(=O)(O)[O-])N=C(N=C2Cl)N.[Na+]

Isomeric SMILES

C1=NC2=C(N1CCC(CO)COP(=O)(O)[O-])N=C(N=C2Cl)N.[Na+]

InChI

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