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

Systemtic Name: 2-azanyl-9-[(1-phenoxy-3-phenylmethoxy-propan-2-yl)oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[1-(benzyloxymethyl)-2-phenoxy-ethoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[(1-phenoxy-3-phenylmethoxypropan-2-yl)oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(1-phenoxy-3-phenylmethoxypropan-2-yl)oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[1-(benzoxymethyl)-2-phenoxy-ethoxy]methyl]-3H-purin-6-one Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(COC2=CC=CC=C2)OCN3C=NC4=C3NC(=NC4=O)N

Isomeric SMILES

C1=CC=C(C=C1)COCC(COC2=CC=CC=C2)OCN3C=NC4=C3NC(=NC4=O)N

InChI

InChI=1S/C22H23N5O4/c23-22-25-20-19(21(28)26-22)24-14-27(20)15-31-18(13-30-17-9-5-2-6-10-17)12-29-11-16-7-3-1-4-8-16/h1-10,14,18H,11-13,15H2,(H3,23,25,26,28)