N-[9-[2-(bromomethyl)-5-ethyl-3,4-dimethyl-oxolan-2-yl]purin-6-yl]benzamide

Systemtic Name: N-[9-[2-(bromomethyl)-5-ethyl-3,4-dimethyl-oxolan-2-yl]purin-6-yl]benzamide Openeye Name: N-[9-[2-(bromomethyl)-5-ethyl-3,4-dimethyl-tetrahydrofuran-2-yl]purin-6-yl]benzamide CAS Name: N-[9-[2-(bromomethyl)-5-ethyl-3,4-dimethyl-2-oxolanyl]-6-purinyl]benzamide IUPAC Name: N-[9-[2-(bromomethyl)-5-ethyl-3,4-dimethyloxolan-2-yl]purin-6-yl]benzamide Traditional Name: N-[9-[2-(bromomethyl)-5-ethyl-3,4-dimethyl-tetrahydrofuran-2-yl]purin-6-yl]benzamide Formula: C21H24BrN5O2 MolecularWeight: 458.35156

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(O1)(CBr)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CCC1C(C(C(O1)(CBr)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C21H24BrN5O2/c1-4-16-13(2)14(3)21(10-22,29-16)27-12-25-17-18(23-11-24-19(17)27)26-20(28)15-8-6-5-7-9-15/h5-9,11-14,16H,4,10H2,1-3H3,(H,23,24,26,28)