[3-[2-[(E)-dimethylaminomethylideneamino]-6-phenylmethoxy-purin-9-yl]-2-oxidanyl-propyl]-trimethyl-azanium

Systemtic Name: [3-[2-[(E)-dimethylaminomethylideneamino]-6-phenylmethoxy-purin-9-yl]-2-oxidanyl-propyl]-trimethyl-azanium Openeye Name: [3-[6-benzyloxy-2-[(E)-dimethylaminomethyleneamino]purin-9-yl]-2-hydroxy-propyl]-trimethyl-ammonium CAS Name: [3-[2-[(E)-dimethylaminomethylideneamino]-6-phenylmethoxy-9-purinyl]-2-hydroxypropyl]-trimethylammonium IUPAC Name: [3-[2-[(E)-dimethylaminomethylideneamino]-6-phenylmethoxypurin-9-yl]-2-hydroxypropyl]-trimethylazanium Traditional Name: [3-[6-benzoxy-2-[(E)-dimethylaminomethyleneamino]purin-9-yl]-2-hydroxy-propyl]-trimethyl-ammonium Formula: C21H30N7O2+ MolecularWeight: 412.5086

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=NC1=NC2=C(C(=N1)OCC3=CC=CC=C3)N=CN2CC(C[N+](C)(C)C)O

Isomeric SMILES

CN(C)/C=N/C1=NC2=C(C(=N1)OCC3=CC=CC=C3)N=CN2CC(C[N+](C)(C)C)O

InChI

InChI=1S/C21H30N7O2/c1-26(2)14-23-21-24-19-18(20(25-21)30-13-16-9-7-6-8-10-16)22-15-27(19)11-17(29)12-28(3,4)5/h6-10,14-15,17,29H,11-13H2,1-5H3/q+1/b23-14+