2-[6-azanyl-2-(2,2-dimethyl-3-phosphono-propyl)-7H-purin-8-yl]butanoic acid

Systemtic Name: 2-[6-azanyl-2-(2,2-dimethyl-3-phosphono-propyl)-7H-purin-8-yl]butanoic acid Openeye Name: 2-[6-amino-2-(2,2-dimethyl-3-phosphono-propyl)-7H-purin-8-yl]butanoic acid CAS Name: 2-[6-amino-2-(2,2-dimethyl-3-phosphonopropyl)-7H-purin-8-yl]butanoic acid IUPAC Name: 2-[6-amino-2-(2,2-dimethyl-3-phosphonopropyl)-7H-purin-8-yl]butanoic acid Traditional Name: 2-[6-amino-2-(2,2-dimethyl-3-phosphono-propyl)-7H-purin-8-yl]butyric acid Formula: C14H22N5O5P MolecularWeight: 371.328741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=C(N1)C(=NC(=N2)CC(C)(C)CP(=O)(O)O)N)C(=O)O

Isomeric SMILES

CCC(C1=NC2=C(N1)C(=NC(=N2)CC(C)(C)CP(=O)(O)O)N)C(=O)O

InChI

InChI=1S/C14H22N5O5P/c1-4-7(13(20)21)11-18-9-10(15)16-8(17-12(9)19-11)5-14(2,3)6-25(22,23)24/h7H,4-6H2,1-3H3,(H,20,21)(H2,22,23,24)(H3,15,16,17,18,19)