(E)-1-[6-azanyl-8-(3-fluorophenyl)-9-propyl-purin-2-yl]-3-ethyl-pent-1-en-3-ol

Systemtic Name: (E)-1-[6-azanyl-8-(3-fluorophenyl)-9-propyl-purin-2-yl]-3-ethyl-pent-1-en-3-ol Openeye Name: (E)-1-[6-amino-8-(3-fluorophenyl)-9-propyl-purin-2-yl]-3-ethyl-pent-1-en-3-ol CAS Name: (E)-1-[6-amino-8-(3-fluorophenyl)-9-propyl-2-purinyl]-3-ethyl-1-penten-3-ol IUPAC Name: (E)-1-[6-amino-8-(3-fluorophenyl)-9-propylpurin-2-yl]-3-ethylpent-1-en-3-ol Traditional Name: (E)-1-[6-amino-8-(3-fluorophenyl)-9-propyl-purin-2-yl]-3-ethyl-pent-1-en-3-ol Formula: C21H26FN5O MolecularWeight: 383.462443

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)C=CC(CC)(CC)O)N)N=C1C3=CC(=CC=C3)F

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)/C=C/C(CC)(CC)O)N)N=C1C3=CC(=CC=C3)F

InChI

InChI=1S/C21H26FN5O/c1-4-12-27-19(14-8-7-9-15(22)13-14)26-17-18(23)24-16(25-20(17)27)10-11-21(28,5-2)6-3/h7-11,13,28H,4-6,12H2,1-3H3,(H2,23,24,25)/b11-10+