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

Systemtic Name: 2-azanyl-9-[(1-oxidanyl-3-phenylmethoxy-propan-2-yl)oxymethyl]-3H-purin-6-one hydrochloride Openeye Name: 2-amino-9-[[1-(benzyloxymethyl)-2-hydroxy-ethoxy]methyl]-3H-purin-6-one hydrochloride CAS Name: 2-amino-9-[(1-hydroxy-3-phenylmethoxypropan-2-yl)oxymethyl]-3H-purin-6-one hydrochloride IUPAC Name: 2-amino-9-[(1-hydroxy-3-phenylmethoxypropan-2-yl)oxymethyl]-3H-purin-6-one hydrochloride Traditional Name: 2-amino-9-[[1-(benzoxymethyl)-2-hydroxy-ethoxy]methyl]-3H-purin-6-one hydrochloride Formula: C16H20ClN5O4 MolecularWeight: 381.8141

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(CO)OCN2C=NC3=C2NC(=NC3=O)N.Cl

Isomeric SMILES

C1=CC=C(C=C1)COCC(CO)OCN2C=NC3=C2NC(=NC3=O)N.Cl

InChI

InChI=1S/C16H19N5O4.ClH/c17-16-19-14-13(15(23)20-16)18-9-21(14)10-25-12(6-22)8-24-7-11-4-2-1-3-5-11;/h1-5,9,12,22H,6-8,10H2,(H3,17,19,20,23);1H