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

Systemtic Name: 2-azanyl-9-[(1-chloranyl-3-phenylmethoxy-propan-2-yl)oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[1-(benzyloxymethyl)-2-chloro-ethoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[(1-chloro-3-phenylmethoxypropan-2-yl)oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(1-chloro-3-phenylmethoxypropan-2-yl)oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[1-(benzoxymethyl)-2-chloro-ethoxy]methyl]-3H-purin-6-one Formula: C16H18ClN5O3 MolecularWeight: 363.79882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(CCl)OCN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

C1=CC=C(C=C1)COCC(CCl)OCN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C16H18ClN5O3/c17-6-12(8-24-7-11-4-2-1-3-5-11)25-10-22-9-19-13-14(22)20-16(18)21-15(13)23/h1-5,9,12H,6-8,10H2,(H3,18,20,21,23)