1-[6-azanyl-2-(2-cyclohexylethyl)-7H-purin-8-yl]propylphosphonic acid

Systemtic Name: 1-[6-azanyl-2-(2-cyclohexylethyl)-7H-purin-8-yl]propylphosphonic acid Openeye Name: 1-[6-amino-2-(2-cyclohexylethyl)-7H-purin-8-yl]propylphosphonic acid CAS Name: 1-[6-amino-2-(2-cyclohexylethyl)-7H-purin-8-yl]propylphosphonic acid IUPAC Name: 1-[6-amino-2-(2-cyclohexylethyl)-7H-purin-8-yl]propylphosphonic acid Traditional Name: 1-[6-amino-2-(2-cyclohexylethyl)-7H-purin-8-yl]propylphosphonic acid Formula: C16H26N5O3P MolecularWeight: 367.383101

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=C(N1)C(=NC(=N2)CCC3CCCCC3)N)P(=O)(O)O

Isomeric SMILES

CCC(C1=NC2=C(N1)C(=NC(=N2)CCC3CCCCC3)N)P(=O)(O)O

InChI

InChI=1S/C16H26N5O3P/c1-2-11(25(22,23)24)15-20-13-14(17)18-12(19-16(13)21-15)9-8-10-6-4-3-5-7-10/h10-11H,2-9H2,1H3,(H2,22,23,24)(H3,17,18,19,20,21)