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

Systemtic Name: 2-azanyl-9-(2-hydroxyethyloxymethyl)-7-methyl-1-prop-2-ynyl-1,8-dihydropurin-1-ium-6-one chloride Openeye Name: 2-amino-9-(2-hydroxyethoxymethyl)-7-methyl-1-prop-2-ynyl-1,8-dihydropurin-1-ium-6-one chloride CAS Name: 2-amino-9-(2-hydroxyethoxymethyl)-7-methyl-1-prop-2-ynyl-1,8-dihydropurin-1-ium-6-one chloride IUPAC Name: 2-amino-9-(2-hydroxyethoxymethyl)-7-methyl-1-prop-2-ynyl-1,8-dihydropurin-1-ium-6-one chloride Traditional Name: 2-amino-9-(2-hydroxyethoxymethyl)-7-methyl-1-propargyl-1,8-dihydropurin-1-ium-6-one chloride Formula: C12H18ClN5O3 MolecularWeight: 315.75602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N5O3.ClH/c1-3-4-17-11(19)9-10(14-12(17)13)16(7-15(9)2)8-20-6-5-18;/h1,18H,4-8H2,2H3,(H2,13,14);1H