N-[9-[(2R,3R)-1,2-bis(oxidanyl)nonan-3-yl]purin-6-yl]benzamide

Systemtic Name: N-[9-[(2R,3R)-1,2-bis(oxidanyl)nonan-3-yl]purin-6-yl]benzamide Openeye Name: N-[9-[(1R)-1-[(1R)-1,2-dihydroxyethyl]heptyl]purin-6-yl]benzamide CAS Name: N-[9-[(2R,3R)-1,2-dihydroxynonan-3-yl]-6-purinyl]benzamide IUPAC Name: N-[9-[(2R,3R)-1,2-dihydroxynonan-3-yl]purin-6-yl]benzamide Traditional Name: N-[9-[(1R)-1-[(1R)-1,2-dihydroxyethyl]heptyl]purin-6-yl]benzamide Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(CO)O)N1C=NC2=C1N=CN=C2NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCC[C@H]([C@H](CO)O)N1C=NC2=C1N=CN=C2NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H27N5O3/c1-2-3-4-8-11-16(17(28)12-27)26-14-24-18-19(22-13-23-20(18)26)25-21(29)15-9-6-5-7-10-15/h5-7,9-10,13-14,16-17,27-28H,2-4,8,11-12H2,1H3,(H,22,23,25,29)/t16-,17+/m1/s1