2-azanyl-1-ethenyl-9-(2-hydroxyethyloxymethyl)-7-methyl-1,8-dihydropurin-1-ium-6-one chloride

Systemtic Name: 2-azanyl-1-ethenyl-9-(2-hydroxyethyloxymethyl)-7-methyl-1,8-dihydropurin-1-ium-6-one chloride Openeye Name: 2-amino-9-(2-hydroxyethoxymethyl)-7-methyl-1-vinyl-1,8-dihydropurin-1-ium-6-one chloride CAS Name: 2-amino-1-ethenyl-9-(2-hydroxyethoxymethyl)-7-methyl-1,8-dihydropurin-1-ium-6-one chloride IUPAC Name: 2-amino-1-ethenyl-9-(2-hydroxyethoxymethyl)-7-methyl-1,8-dihydropurin-1-ium-6-one chloride Traditional Name: 2-amino-9-(2-hydroxyethoxymethyl)-7-methyl-1-vinyl-1,8-dihydropurin-1-ium-6-one chloride Formula: C11H18ClN5O3 MolecularWeight: 303.74532

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Descriptors Computed from Structure

Canonical SMILES:

CN1CN(C2=C1C(=O)[NH+](C(=N2)N)C=C)COCCO.[Cl-]

Isomeric SMILES

CN1CN(C2=C1C(=O)[NH+](C(=N2)N)C=C)COCCO.[Cl-]

InChI

InChI=1S/C11H17N5O3.ClH/c1-3-16-10(18)8-9(13-11(16)12)15(6-14(8)2)7-19-5-4-17;/h3,17H,1,4-7H2,2H3,(H2,12,13);1H