1-methyl-N-oxidanyl-5-[9-(prop-2-ynoxymethyl)purin-6-yl]sulfanyl-imidazol-4-amine oxide

Systemtic Name: 1-methyl-N-oxidanyl-5-[9-(prop-2-ynoxymethyl)purin-6-yl]sulfanyl-imidazol-4-amine oxide Openeye Name: N-hydroxy-1-methyl-5-[9-(prop-2-ynoxymethyl)purin-6-yl]sulfanyl-imidazol-4-amine oxide CAS Name: N-hydroxy-1-methyl-5-[[9-(prop-2-ynoxymethyl)-6-purinyl]thio]-4-imidazolamine oxide IUPAC Name: N-hydroxy-1-methyl-5-[9-(prop-2-ynoxymethyl)purin-6-yl]sulfanylimidazol-4-amine oxide Traditional Name: N-hydroxy-1-methyl-5-[[9-(propargyloxymethyl)purin-6-yl]thio]imidazol-4-amine oxide Formula: C13H13N7O3S MolecularWeight: 347.35242

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1SC2=NC=NC3=C2N=CN3COCC#C)[NH+](O)[O-]

Isomeric SMILES

CN1C=NC(=C1SC2=NC=NC3=C2N=CN3COCC#C)[NH+](O)[O-]

InChI

InChI=1S/C13H13N7O3S/c1-3-4-23-8-19-7-16-9-10(19)14-5-15-12(9)24-13-11(20(21)22)17-6-18(13)2/h1,5-7,20-21H,4,8H2,2H3