1-[6-azanyl-9-ethyl-8-(3-fluorophenyl)purin-2-yl]-3-ethyl-pentan-3-ol hydrochloride

Systemtic Name: 1-[6-azanyl-9-ethyl-8-(3-fluorophenyl)purin-2-yl]-3-ethyl-pentan-3-ol hydrochloride Openeye Name: 1-[6-amino-9-ethyl-8-(3-fluorophenyl)purin-2-yl]-3-ethyl-pentan-3-ol hydrochloride CAS Name: 1-[6-amino-9-ethyl-8-(3-fluorophenyl)-2-purinyl]-3-ethyl-3-pentanol hydrochloride IUPAC Name: 1-[6-amino-9-ethyl-8-(3-fluorophenyl)purin-2-yl]-3-ethylpentan-3-ol hydrochloride Traditional Name: 1-[6-amino-9-ethyl-8-(3-fluorophenyl)purin-2-yl]-3-ethyl-pentan-3-ol hydrochloride Formula: C20H27ClFN5O MolecularWeight: 407.912683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CCC1=NC2=C(C(=N1)N)N=C(N2CC)C3=CC(=CC=C3)F)O.Cl

Isomeric SMILES

CCC(CC)(CCC1=NC2=C(C(=N1)N)N=C(N2CC)C3=CC(=CC=C3)F)O.Cl

InChI

InChI=1S/C20H26FN5O.ClH/c1-4-20(27,5-2)11-10-15-23-17(22)16-19(24-15)26(6-3)18(25-16)13-8-7-9-14(21)12-13;/h7-9,12,27H,4-6,10-11H2,1-3H3,(H2,22,23,24);1H