N-[9-[(1-butoxy-3-phenylmethoxy-propan-2-yl)oxymethyl]-6-oxidanylidene-3H-purin-2-yl]ethanamide

Systemtic Name: N-[9-[(1-butoxy-3-phenylmethoxy-propan-2-yl)oxymethyl]-6-oxidanylidene-3H-purin-2-yl]ethanamide Openeye Name: N-[9-[[1-(benzyloxymethyl)-2-butoxy-ethoxy]methyl]-6-oxo-3H-purin-2-yl]acetamide CAS Name: N-[9-[(1-butoxy-3-phenylmethoxypropan-2-yl)oxymethyl]-6-oxo-3H-purin-2-yl]acetamide IUPAC Name: N-[9-[(1-butoxy-3-phenylmethoxypropan-2-yl)oxymethyl]-6-oxo-3H-purin-2-yl]acetamide Traditional Name: N-[9-[[1-(benzoxymethyl)-2-butoxy-ethoxy]methyl]-6-keto-3H-purin-2-yl]acetamide Formula: C22H29N5O5 MolecularWeight: 443.49616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC(COCC1=CC=CC=C1)OCN2C=NC3=C2NC(=NC3=O)NC(=O)C

Isomeric SMILES

CCCCOCC(COCC1=CC=CC=C1)OCN2C=NC3=C2NC(=NC3=O)NC(=O)C

InChI

InChI=1S/C22H29N5O5/c1-3-4-10-30-12-18(13-31-11-17-8-6-5-7-9-17)32-15-27-14-23-19-20(27)25-22(24-16(2)28)26-21(19)29/h5-9,14,18H,3-4,10-13,15H2,1-2H3,(H2,24,25,26,28,29)