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

Systemtic Name: (E)-4-[6-azanyl-9-cyclopropyl-8-(3-fluorophenyl)purin-2-yl]-2-methyl-but-3-en-2-ol hydrochloride Openeye Name: (E)-4-[6-amino-9-cyclopropyl-8-(3-fluorophenyl)purin-2-yl]-2-methyl-but-3-en-2-ol hydrochloride CAS Name: (E)-4-[6-amino-9-cyclopropyl-8-(3-fluorophenyl)-2-purinyl]-2-methyl-3-buten-2-ol hydrochloride IUPAC Name: (E)-4-[6-amino-9-cyclopropyl-8-(3-fluorophenyl)purin-2-yl]-2-methylbut-3-en-2-ol hydrochloride Traditional Name: (E)-4-[6-amino-9-cyclopropyl-8-(3-fluorophenyl)purin-2-yl]-2-methyl-but-3-en-2-ol hydrochloride Formula: C19H21ClFN5O MolecularWeight: 389.854343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=CC1=NC2=C(C(=N1)N)N=C(N2C3CC3)C4=CC(=CC=C4)F)O.Cl

Isomeric SMILES

CC(C)(/C=C/C1=NC2=C(C(=N1)N)N=C(N2C3CC3)C4=CC(=CC=C4)F)O.Cl

InChI

InChI=1S/C19H20FN5O.ClH/c1-19(2,26)9-8-14-22-16(21)15-18(23-14)25(13-6-7-13)17(24-15)11-4-3-5-12(20)10-11;/h3-5,8-10,13,26H,6-7H2,1-2H3,(H2,21,22,23);1H/b9-8+;