azane; 4-[2,6-bis(azanyl)purin-9-yl]butyl phosphono hydrogen phosphate

Systemtic Name: azane; 4-[2,6-bis(azanyl)purin-9-yl]butyl phosphono hydrogen phosphate Openeye Name: ammonia; 4-(2,6-diaminopurin-9-yl)butyl phosphono hydrogen phosphate CAS Name: ammonia; 4-(2,6-diamino-9-purinyl)butyl phosphono hydrogen phosphate IUPAC Name: azane; 4-(2,6-diaminopurin-9-yl)butyl phosphono hydrogen phosphate Traditional Name: ammonia; 4-(2,6-diaminopurin-9-yl)butyl phosphono hydrogen phosphate Formula: C9H25N9O7P2 MolecularWeight: 433.298422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16N6O7P2.3H3N/c10-7-6-8(14-9(11)13-7)15(5-12-6)3-1-2-4-21-24(19,20)22-23(16,17)18;;;/h5H,1-4H2,(H,19,20)(H2,16,17,18)(H4,10,11,13,14);3*1H3