azane; 4-(6-azanyl-2-phenethyloxy-purin-9-yl)butyl dihydrogen phosphate

Systemtic Name: azane; 4-(6-azanyl-2-phenethyloxy-purin-9-yl)butyl dihydrogen phosphate Openeye Name: 4-(6-amino-2-phenethyloxy-purin-9-yl)butyl dihydrogen phosphate; ammonia CAS Name: 4-(6-amino-2-phenethyloxy-9-purinyl)butyl dihydrogen phosphate; ammonia IUPAC Name: 4-(6-amino-2-phenethyloxypurin-9-yl)butyl dihydrogen phosphate; azane Traditional Name: 4-(6-amino-2-phenethyloxy-purin-9-yl)butyl dihydrogen phosphate; ammonia Formula: C17H25N6O5P MolecularWeight: 424.391361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=NC3=C(C(=N2)N)N=CN3CCCCOP(=O)(O)O.N

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=NC3=C(C(=N2)N)N=CN3CCCCOP(=O)(O)O.N

InChI

InChI=1S/C17H22N5O5P.H3N/c18-15-14-16(22(12-19-14)9-4-5-10-27-28(23,24)25)21-17(20-15)26-11-8-13-6-2-1-3-7-13;/h1-3,6-7,12H,4-5,8-11H2,(H2,18,20,21)(H2,23,24,25);1H3