4-(6-azanyl-2-chloranyl-purin-9-yl)butyl phosphono hydrogen phosphate

Systemtic Name: 4-(6-azanyl-2-chloranyl-purin-9-yl)butyl phosphono hydrogen phosphate Openeye Name: 4-(6-amino-2-chloro-purin-9-yl)butyl phosphono hydrogen phosphate CAS Name: 4-(6-amino-2-chloro-9-purinyl)butyl phosphono hydrogen phosphate IUPAC Name: 4-(6-amino-2-chloropurin-9-yl)butyl phosphono hydrogen phosphate Traditional Name: 4-(6-amino-2-chloro-purin-9-yl)butyl phosphono hydrogen phosphate Formula: C9H14ClN5O7P2 MolecularWeight: 401.637282

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCCCOP(=O)(O)OP(=O)(O)O)N=C(N=C2N)Cl

Isomeric SMILES

C1=NC2=C(N1CCCCOP(=O)(O)OP(=O)(O)O)N=C(N=C2N)Cl

InChI

InChI=1S/C9H14ClN5O7P2/c10-9-13-7(11)6-8(14-9)15(5-12-6)3-1-2-4-21-24(19,20)22-23(16,17)18/h5H,1-4H2,(H,19,20)(H2,11,13,14)(H2,16,17,18)