4-(6-aminopurin-9-yl)butyl phosphono hydrogen phosphate

Systemtic Name: 4-(6-aminopurin-9-yl)butyl phosphono hydrogen phosphate Openeye Name: 4-(6-aminopurin-9-yl)butyl phosphono hydrogen phosphate CAS Name: 4-(6-aminopurin-9-yl)butyl phosphono hydrogen phosphate IUPAC Name: 4-(6-aminopurin-9-yl)butyl phosphono hydrogen phosphate Traditional Name: 4-adenin-9-ylbutyl phosphono hydrogen phosphate Formula: C9H15N5O7P2 MolecularWeight: 367.192222

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2CCCCOP(=O)(O)OP(=O)(O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2CCCCOP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C9H15N5O7P2/c10-8-7-9(12-5-11-8)14(6-13-7)3-1-2-4-20-23(18,19)21-22(15,16)17/h5-6H,1-4H2,(H,18,19)(H2,10,11,12)(H2,15,16,17)