N-[6-chloranyl-9-[(1-phenylmethoxy-3-propan-2-yloxy-propoxy)methyl]purin-2-yl]ethanamide

Systemtic Name: N-[6-chloranyl-9-[(1-phenylmethoxy-3-propan-2-yloxy-propoxy)methyl]purin-2-yl]ethanamide Openeye Name: N-[9-[(1-benzyloxy-3-isopropoxy-propoxy)methyl]-6-chloro-purin-2-yl]acetamide CAS Name: N-[6-chloro-9-[(1-phenylmethoxy-3-propan-2-yloxypropoxy)methyl]-2-purinyl]acetamide IUPAC Name: N-[6-chloro-9-[(1-phenylmethoxy-3-propan-2-yloxypropoxy)methyl]purin-2-yl]acetamide Traditional Name: N-[9-[(1-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)OCCC(OCC1=CC=CC=C1)OCN2C=NC3=C2N=C(N=C3Cl)NC(=O)C

Isomeric SMILES

CC(C)OCCC(OCC1=CC=CC=C1)OCN2C=NC3=C2N=C(N=C3Cl)NC(=O)C

InChI

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