N-[6-chloranyl-7-[(2-phenylmethoxy-3-propan-2-yloxy-propoxy)methyl]purin-2-yl]ethanamide

Systemtic Name: N-[6-chloranyl-7-[(2-phenylmethoxy-3-propan-2-yloxy-propoxy)methyl]purin-2-yl]ethanamide Openeye Name: N-[7-[(2-benzyloxy-3-isopropoxy-propoxy)methyl]-6-chloro-purin-2-yl]acetamide CAS Name: N-[6-chloro-7-[(2-phenylmethoxy-3-propan-2-yloxypropoxy)methyl]-2-purinyl]acetamide IUPAC Name: N-[6-chloro-7-[(2-phenylmethoxy-3-propan-2-yloxypropoxy)methyl]purin-2-yl]acetamide Traditional Name: N-[7-[(2-benzoxy-3-isopropoxy-propoxy)methyl]-6-chloro-purin-2-yl]acetamide Formula: C21H26ClN5O4 MolecularWeight: 447.91524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC(COCN1C=NC2=C1C(=NC(=N2)NC(=O)C)Cl)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)OCC(COCN1C=NC2=C1C(=NC(=N2)NC(=O)C)Cl)OCC3=CC=CC=C3

InChI

InChI=1S/C21H26ClN5O4/c1-14(2)30-11-17(31-9-16-7-5-4-6-8-16)10-29-13-27-12-23-20-18(27)19(22)25-21(26-20)24-15(3)28/h4-8,12,14,17H,9-11,13H2,1-3H3,(H,24,25,26,28)