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

Systemtic Name: (E)-4-[6-azanyl-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-2-methyl-but-3-en-2-ol hydrochloride Openeye Name: (E)-4-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-2-methyl-but-3-en-2-ol hydrochloride CAS Name: (E)-4-[6-amino-8-(3-fluorophenyl)-9-methyl-2-purinyl]-2-methyl-3-buten-2-ol hydrochloride IUPAC Name: (E)-4-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]-2-methylbut-3-en-2-ol hydrochloride Traditional Name: (E)-4-[6-amino-8-(3-fluorophenyl)-9-methyl-purin-2-yl]-2-methyl-but-3-en-2-ol hydrochloride Formula: C17H19ClFN5O MolecularWeight: 363.817063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=CC1=NC2=C(C(=N1)N)N=C(N2C)C3=CC(=CC=C3)F)O.Cl

Isomeric SMILES

CC(C)(/C=C/C1=NC2=C(C(=N1)N)N=C(N2C)C3=CC(=CC=C3)F)O.Cl

InChI

InChI=1S/C17H18FN5O.ClH/c1-17(2,24)8-7-12-20-14(19)13-16(21-12)23(3)15(22-13)10-5-4-6-11(18)9-10;/h4-9,24H,1-3H3,(H2,19,20,21);1H/b8-7+;