azane; [4-(6-azanyl-2-iodanyl-purin-9-yl)butoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: azane; [4-(6-azanyl-2-iodanyl-purin-9-yl)butoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [4-(6-amino-2-iodo-purin-9-yl)butoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate; ammonia CAS Name: [4-(6-amino-2-iodo-9-purinyl)butoxy-hydroxyphosphoryl] phosphono hydrogen phosphate; ammonia IUPAC Name: [4-(6-amino-2-iodopurin-9-yl)butoxy-hydroxyphosphoryl] phosphono hydrogen phosphate; azane Traditional Name: [4-(6-amino-2-iodo-purin-9-yl)butoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate; ammonia Formula: C9H27IN9O10P3 MolecularWeight: 641.190733

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O)N=C(N=C2N)I.N.N.N.N

Isomeric SMILES

C1=NC2=C(N1CCCCOP(=O)(O)OP(=O)(O)OP(=O)(O)O)N=C(N=C2N)I.N.N.N.N

InChI

InChI=1S/C9H15IN5O10P3.4H3N/c10-9-13-7(11)6-8(14-9)15(5-12-6)3-1-2-4-23-27(19,20)25-28(21,22)24-26(16,17)18;;;;/h5H,1-4H2,(H,19,20)(H,21,22)(H2,11,13,14)(H2,16,17,18);4*1H3