2-azanyl-8-ethanoyl-7-(phenylmethyl)-3,7-dihydropurin-7-ium-6-one bromide

Systemtic Name: 2-azanyl-8-ethanoyl-7-(phenylmethyl)-3,7-dihydropurin-7-ium-6-one bromide Openeye Name: 8-acetyl-2-amino-7-benzyl-3,7-dihydropurin-7-ium-6-one bromide CAS Name: 8-acetyl-2-amino-7-(phenylmethyl)-3,7-dihydropurin-7-ium-6-one bromide IUPAC Name: 8-acetyl-2-amino-7-benzyl-3,7-dihydropurin-7-ium-6-one bromide Traditional Name: 8-acetyl-2-amino-7-benzyl-3,7-dihydropurin-7-ium-6-one bromide Formula: C14H14BrN5O2 MolecularWeight: 364.19726

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NC2=C([NH+]1CC3=CC=CC=C3)C(=O)N=C(N2)N.[Br-]

Isomeric SMILES

CC(=O)C1=NC2=C([NH+]1CC3=CC=CC=C3)C(=O)N=C(N2)N.[Br-]

InChI

InChI=1S/C14H13N5O2.BrH/c1-8(20)12-16-11-10(13(21)18-14(15)17-11)19(12)7-9-5-3-2-4-6-9;/h2-6H,7H2,1H3,(H3,15,17,18,21);1H