(E)-4-[6-azanyl-9-ethyl-8-(3-fluorophenyl)purin-2-yl]-2-methyl-but-3-en-2-ol hydrochloride

Systemtic Name: (E)-4-[6-azanyl-9-ethyl-8-(3-fluorophenyl)purin-2-yl]-2-methyl-but-3-en-2-ol hydrochloride Openeye Name: (E)-4-[6-amino-9-ethyl-8-(3-fluorophenyl)purin-2-yl]-2-methyl-but-3-en-2-ol hydrochloride CAS Name: (E)-4-[6-amino-9-ethyl-8-(3-fluorophenyl)-2-purinyl]-2-methyl-3-buten-2-ol hydrochloride IUPAC Name: (E)-4-[6-amino-9-ethyl-8-(3-fluorophenyl)purin-2-yl]-2-methylbut-3-en-2-ol hydrochloride Traditional Name: (E)-4-[6-amino-9-ethyl-8-(3-fluorophenyl)purin-2-yl]-2-methyl-but-3-en-2-ol hydrochloride Formula: C18H21ClFN5O MolecularWeight: 377.843643

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=NC(=N2)C=CC(C)(C)O)N)N=C1C3=CC(=CC=C3)F.Cl

Isomeric SMILES

CCN1C2=C(C(=NC(=N2)/C=C/C(C)(C)O)N)N=C1C3=CC(=CC=C3)F.Cl

InChI

InChI=1S/C18H20FN5O.ClH/c1-4-24-16(11-6-5-7-12(19)10-11)23-14-15(20)21-13(22-17(14)24)8-9-18(2,3)25;/h5-10,25H,4H2,1-3H3,(H2,20,21,22);1H/b9-8+;