N-[9-[(2S,3S)-6-ethoxy-3-phenylselanyl-oxan-2-yl]purin-6-yl]benzamide

Systemtic Name: N-[9-[(2S,3S)-6-ethoxy-3-phenylselanyl-oxan-2-yl]purin-6-yl]benzamide Openeye Name: N-[9-[(2S,3S)-6-ethoxy-3-phenylselanyl-tetrahydropyran-2-yl]purin-6-yl]benzamide CAS Name: N-[9-[(2S,3S)-6-ethoxy-3-(phenylseleno)-2-oxanyl]-6-purinyl]benzamide IUPAC Name: N-[9-[(2S,3S)-6-ethoxy-3-phenylselanyloxan-2-yl]purin-6-yl]benzamide Traditional Name: N-[9-[(2S,3S)-6-ethoxy-3-(phenylseleno)tetrahydropyran-2-yl]purin-6-yl]benzamide Formula: C25H25N5O3Se MolecularWeight: 522.4577

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CCC(C(O1)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)[Se]C5=CC=CC=C5

Isomeric SMILES

CCOC1CC[C@@H]([C@H](O1)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4)[Se]C5=CC=CC=C5

InChI

InChI=1S/C25H25N5O3Se/c1-2-32-20-14-13-19(34-18-11-7-4-8-12-18)25(33-20)30-16-28-21-22(26-15-27-23(21)30)29-24(31)17-9-5-3-6-10-17/h3-12,15-16,19-20,25H,2,13-14H2,1H3,(H,26,27,29,31)/t19-,20?,25-/m0/s1