4-(6-azanyl-2-hex-1-ynyl-purin-9-yl)butyl dihydrogen phosphate

Systemtic Name: 4-(6-azanyl-2-hex-1-ynyl-purin-9-yl)butyl dihydrogen phosphate Openeye Name: 4-(6-amino-2-hex-1-ynyl-purin-9-yl)butyl dihydrogen phosphate CAS Name: 4-(6-amino-2-hex-1-ynyl-9-purinyl)butyl dihydrogen phosphate IUPAC Name: 4-(6-amino-2-hex-1-ynylpurin-9-yl)butyl dihydrogen phosphate Traditional Name: 4-(6-amino-2-hex-1-ynyl-purin-9-yl)butyl dihydrogen phosphate Formula: C15H22N5O4P MolecularWeight: 367.340041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=NC2=C(C(=N1)N)N=CN2CCCCOP(=O)(O)O

Isomeric SMILES

CCCCC#CC1=NC2=C(C(=N1)N)N=CN2CCCCOP(=O)(O)O

InChI

InChI=1S/C15H22N5O4P/c1-2-3-4-5-8-12-18-14(16)13-15(19-12)20(11-17-13)9-6-7-10-24-25(21,22)23/h11H,2-4,6-7,9-10H2,1H3,(H2,16,18,19)(H2,21,22,23)