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

Systemtic Name: 2-azanyl-9-(2-hydroxyethyloxymethyl)-7-methyl-1-propyl-1,8-dihydropurin-1-ium-6-one chloride Openeye Name: 2-amino-9-(2-hydroxyethoxymethyl)-7-methyl-1-propyl-1,8-dihydropurin-1-ium-6-one chloride CAS Name: 2-amino-9-(2-hydroxyethoxymethyl)-7-methyl-1-propyl-1,8-dihydropurin-1-ium-6-one chloride IUPAC Name: 2-amino-9-(2-hydroxyethoxymethyl)-7-methyl-1-propyl-1,8-dihydropurin-1-ium-6-one chloride Traditional Name: 2-amino-9-(2-hydroxyethoxymethyl)-7-methyl-1-propyl-1,8-dihydropurin-1-ium-6-one chloride Formula: C12H22ClN5O3 MolecularWeight: 319.78778

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1C(=O)C2=C(N=C1N)N(CN2C)COCCO.[Cl-]

Isomeric SMILES

CCC[NH+]1C(=O)C2=C(N=C1N)N(CN2C)COCCO.[Cl-]

InChI

InChI=1S/C12H21N5O3.ClH/c1-3-4-17-11(19)9-10(14-12(17)13)16(7-15(9)2)8-20-6-5-18;/h18H,3-8H2,1-2H3,(H2,13,14);1H