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

Systemtic Name: [4-(2-azanyl-6-chloranyl-7H-purin-8-yl)-2-(hydroxymethyl)butyl] dihydrogen phosphate Openeye Name: [4-(2-amino-6-chloro-7H-purin-8-yl)-2-(hydroxymethyl)butyl] dihydrogen phosphate CAS Name: [4-(2-amino-6-chloro-7H-purin-8-yl)-2-(hydroxymethyl)butyl] dihydrogen phosphate IUPAC Name: [4-(2-amino-6-chloro-7H-purin-8-yl)-2-(hydroxymethyl)butyl] dihydrogen phosphate Traditional Name: [4-(2-amino-6-chloro-7H-purin-8-yl)-2-methylol-butyl] dihydrogen phosphate Formula: C10H15ClN5O5P MolecularWeight: 351.683361

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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

Isomeric SMILES

C(CC(CO)COP(=O)(O)O)C1=NC2=C(N1)C(=NC(=N2)N)Cl

InChI

InChI=1S/C10H15ClN5O5P/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)