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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(C(COCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)N)O.Cl

Isomeric SMILES

COC(C(COCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)N)O.Cl

InChI

InChI=1S/C16H19N5O4.ClH/c1-24-15(23)11(8-25-7-10-5-3-2-4-6-10)21-9-18-12-13(21)19-16(17)20-14(12)22;/h2-6,9,11,15,23H,7-8H2,1H3,(H3,17,19,20,22);1H