4-[2,6-bis(azanyl)pyrimidin-4-yl]butoxymethylphosphonic acid

Systemtic Name: 4-[2,6-bis(azanyl)pyrimidin-4-yl]butoxymethylphosphonic acid Openeye Name: 4-(2,6-diaminopyrimidin-4-yl)butoxymethylphosphonic acid CAS Name: 4-(2,6-diamino-4-pyrimidinyl)butoxymethylphosphonic acid IUPAC Name: 4-(2,6-diaminopyrimidin-4-yl)butoxymethylphosphonic acid Traditional Name: 4-(2,6-diaminopyrimidin-4-yl)butoxymethylphosphonic acid Formula: C9H17N4O4P MolecularWeight: 276.229441

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=C(N=C1N)N)CCCCOCP(=O)(O)O

Isomeric SMILES

C1=C(N=C(N=C1N)N)CCCCOCP(=O)(O)O

InChI

InChI=1S/C9H17N4O4P/c10-8-5-7(12-9(11)13-8)3-1-2-4-17-6-18(14,15)16/h5H,1-4,6H2,(H2,14,15,16)(H4,10,11,12,13)