[4-(6-azanyl-2-chloranyl-purin-9-yl)-2-(phosphonooxymethyl)butyl] dihydrogen phosphate

Systemtic Name: [4-(6-azanyl-2-chloranyl-purin-9-yl)-2-(phosphonooxymethyl)butyl] dihydrogen phosphate Openeye Name: [4-(6-amino-2-chloro-purin-9-yl)-2-(phosphonooxymethyl)butyl] dihydrogen phosphate CAS Name: [4-(6-amino-2-chloro-9-purinyl)-2-(phosphonooxymethyl)butyl] dihydrogen phosphate IUPAC Name: [4-(6-amino-2-chloropurin-9-yl)-2-(phosphonooxymethyl)butyl] dihydrogen phosphate Traditional Name: [4-(6-amino-2-chloro-purin-9-yl)-2-(phosphonooxymethyl)butyl] dihydrogen phosphate Formula: C10H16ClN5O8P2 MolecularWeight: 431.663262

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCC(COP(=O)(O)O)COP(=O)(O)O)N=C(N=C2N)Cl

Isomeric SMILES

C1=NC2=C(N1CCC(COP(=O)(O)O)COP(=O)(O)O)N=C(N=C2N)Cl

InChI

InChI=1S/C10H16ClN5O8P2/c11-10-14-8(12)7-9(15-10)16(5-13-7)2-1-6(3-23-25(17,18)19)4-24-26(20,21)22/h5-6H,1-4H2,(H2,12,14,15)(H2,17,18,19)(H2,20,21,22)