2-azanyl-9-[(1-hexoxy-3-phenylmethoxy-propan-2-yl)oxymethyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(1-hexoxy-3-phenylmethoxy-propan-2-yl)oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[1-(benzyloxymethyl)-2-hexoxy-ethoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[(1-hexoxy-3-phenylmethoxypropan-2-yl)oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(1-hexoxy-3-phenylmethoxypropan-2-yl)oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[1-(benzoxymethyl)-2-hexoxy-ethoxy]methyl]-3H-purin-6-one Formula: C22H31N5O4 MolecularWeight: 429.51264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCC(COCC1=CC=CC=C1)OCN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

CCCCCCOCC(COCC1=CC=CC=C1)OCN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C22H31N5O4/c1-2-3-4-8-11-29-13-18(14-30-12-17-9-6-5-7-10-17)31-16-27-15-24-19-20(27)25-22(23)26-21(19)28/h5-7,9-10,15,18H,2-4,8,11-14,16H2,1H3,(H3,23,25,26,28)