1-[6-azanyl-9-cyclopropyl-8-(3-fluorophenyl)purin-2-yl]-3-ethyl-penta-1,4-diyn-3-ol

Systemtic Name: 1-[6-azanyl-9-cyclopropyl-8-(3-fluorophenyl)purin-2-yl]-3-ethyl-penta-1,4-diyn-3-ol Openeye Name: 1-[6-amino-9-cyclopropyl-8-(3-fluorophenyl)purin-2-yl]-3-ethyl-penta-1,4-diyn-3-ol CAS Name: 1-[6-amino-9-cyclopropyl-8-(3-fluorophenyl)-2-purinyl]-3-ethyl-3-penta-1,4-diynol IUPAC Name: 1-[6-amino-9-cyclopropyl-8-(3-fluorophenyl)purin-2-yl]-3-ethylpenta-1,4-diyn-3-ol Traditional Name: 1-[6-amino-9-cyclopropyl-8-(3-fluorophenyl)purin-2-yl]-3-ethyl-penta-1,4-diyn-3-ol Formula: C21H18FN5O MolecularWeight: 375.398923

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#C)(C#CC1=NC2=C(C(=N1)N)N=C(N2C3CC3)C4=CC(=CC=C4)F)O

Isomeric SMILES

CCC(C#C)(C#CC1=NC2=C(C(=N1)N)N=C(N2C3CC3)C4=CC(=CC=C4)F)O

InChI

InChI=1S/C21H18FN5O/c1-3-21(28,4-2)11-10-16-24-18(23)17-20(25-16)27(15-8-9-15)19(26-17)13-6-5-7-14(22)12-13/h1,5-7,12,15,28H,4,8-9H2,2H3,(H2,23,24,25)