N-[8-(3-azanylpropylamino)-9-[5-(hydroxymethyl)-5-methyl-4-oxidanyl-oxolan-2-yl]purin-6-yl]benzamide

Systemtic Name: N-[8-(3-azanylpropylamino)-9-[5-(hydroxymethyl)-5-methyl-4-oxidanyl-oxolan-2-yl]purin-6-yl]benzamide Openeye Name: N-[8-(3-aminopropylamino)-9-[4-hydroxy-5-(hydroxymethyl)-5-methyl-tetrahydrofuran-2-yl]purin-6-yl]benzamide CAS Name: N-[8-(3-aminopropylamino)-9-[4-hydroxy-5-(hydroxymethyl)-5-methyl-2-oxolanyl]-6-purinyl]benzamide IUPAC Name: N-[8-(3-aminopropylamino)-9-[4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]purin-6-yl]benzamide Traditional Name: N-[8-(3-aminopropylamino)-9-(4-hydroxy-5-methyl-5-methylol-tetrahydrofuran-2-yl)purin-6-yl]benzamide Formula: C21H27N7O4 MolecularWeight: 441.48358

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC(O1)N2C3=C(C(=NC=N3)NC(=O)C4=CC=CC=C4)N=C2NCCCN)O)CO

Isomeric SMILES

CC1(C(CC(O1)N2C3=C(C(=NC=N3)NC(=O)C4=CC=CC=C4)N=C2NCCCN)O)CO

InChI

InChI=1S/C21H27N7O4/c1-21(11-29)14(30)10-15(32-21)28-18-16(26-20(28)23-9-5-8-22)17(24-12-25-18)27-19(31)13-6-3-2-4-7-13/h2-4,6-7,12,14-15,29-30H,5,8-11,22H2,1H3,(H,23,26)(H,24,25,27,31)