N-[9-[(2R,4R,5R)-5-(hydroxymethyl)-4-prop-2-ynoxy-oxolan-2-yl]purin-6-yl]benzamide

Systemtic Name: N-[9-[(2R,4R,5R)-5-(hydroxymethyl)-4-prop-2-ynoxy-oxolan-2-yl]purin-6-yl]benzamide Openeye Name: N-[9-[(2R,4R,5R)-5-(hydroxymethyl)-4-prop-2-ynoxy-tetrahydrofuran-2-yl]purin-6-yl]benzamide CAS Name: N-[9-[(2R,4R,5R)-5-(hydroxymethyl)-4-prop-2-ynoxy-2-oxolanyl]-6-purinyl]benzamide IUPAC Name: N-[9-[(2R,4R,5R)-5-(hydroxymethyl)-4-prop-2-ynoxyoxolan-2-yl]purin-6-yl]benzamide Traditional Name: N-[9-[(2R,4R,5R)-5-methylol-4-propargyloxy-tetrahydrofuran-2-yl]purin-6-yl]benzamide Formula: C20H19N5O4 MolecularWeight: 393.39596

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1CC(OC1CO)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4

Isomeric SMILES

C#CCO[C@@H]1C[C@@H](O[C@@H]1CO)N2C=NC3=C2N=CN=C3NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H19N5O4/c1-2-8-28-14-9-16(29-15(14)10-26)25-12-23-17-18(21-11-22-19(17)25)24-20(27)13-6-4-3-5-7-13/h1,3-7,11-12,14-16,26H,8-10H2,(H,21,22,24,27)/t14-,15-,16-/m1/s1