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

Systemtic Name: 2-azanyl-9-[[1-(cyclohexylmethoxy)-3-phenylmethoxy-propan-2-yl]oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[1-(benzyloxymethyl)-2-(cyclohexylmethoxy)ethoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[[1-(cyclohexylmethoxy)-3-phenylmethoxypropan-2-yl]oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[[1-(cyclohexylmethoxy)-3-phenylmethoxypropan-2-yl]oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[1-(benzoxymethyl)-2-(cyclohexylmethoxy)ethoxy]methyl]-3H-purin-6-one Formula: C23H31N5O4 MolecularWeight: 441.52334

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COCC(COCC2=CC=CC=C2)OCN3C=NC4=C3NC(=NC4=O)N

Isomeric SMILES

C1CCC(CC1)COCC(COCC2=CC=CC=C2)OCN3C=NC4=C3NC(=NC4=O)N

InChI

InChI=1S/C23H31N5O4/c24-23-26-21-20(22(29)27-23)25-15-28(21)16-32-19(13-30-11-17-7-3-1-4-8-17)14-31-12-18-9-5-2-6-10-18/h1,3-4,7-8,15,18-19H,2,5-6,9-14,16H2,(H3,24,26,27,29)