N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-oxidanyl-oxolan-2-yl]-8-prop-1-ynyl-purin-6-yl]benzamide

Systemtic Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-oxidanyl-oxolan-2-yl]-8-prop-1-ynyl-purin-6-yl]benzamide Openeye Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-hydroxy-tetrahydrofuran-2-yl]-8-prop-1-ynyl-purin-6-yl]benzamide CAS Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-2-oxolanyl]-8-prop-1-ynyl-6-purinyl]benzamide IUPAC Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-8-prop-1-ynylpurin-6-yl]benzamide Traditional Name: N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-hydroxy-tetrahydrofuran-2-yl]-8-prop-1-ynyl-purin-6-yl]benzamide Formula: C41H37N5O6 MolecularWeight: 695.76238

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=NC2=C(N1C3CC(C(O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O)N=CN=C2NC(=O)C7=CC=CC=C7

Isomeric SMILES

CC#CC1=NC2=C(N1[C@H]3C[C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O)N=CN=C2NC(=O)C7=CC=CC=C7

InChI

InChI=1S/C41H37N5O6/c1-4-11-35-44-37-38(45-40(48)27-12-7-5-8-13-27)42-26-43-39(37)46(35)36-24-33(47)34(52-36)25-51-41(28-14-9-6-10-15-28,29-16-20-31(49-2)21-17-29)30-18-22-32(50-3)23-19-30/h5-10,12-23,26,33-34,36,47H,24-25H2,1-3H3,(H,42,43,45,48)/t33-,34+,36+/m0/s1