2-azanyl-8-ethanoyl-7-[(4-methoxyphenyl)methyl]-3,7-dihydropurin-7-ium-6-one bromide

Systemtic Name: 2-azanyl-8-ethanoyl-7-[(4-methoxyphenyl)methyl]-3,7-dihydropurin-7-ium-6-one bromide Openeye Name: 8-acetyl-2-amino-7-[(4-methoxyphenyl)methyl]-3,7-dihydropurin-7-ium-6-one bromide CAS Name: 8-acetyl-2-amino-7-[(4-methoxyphenyl)methyl]-3,7-dihydropurin-7-ium-6-one bromide IUPAC Name: 8-acetyl-2-amino-7-[(4-methoxyphenyl)methyl]-3,7-dihydropurin-7-ium-6-one bromide Traditional Name: 8-acetyl-2-amino-7-p-anisyl-3,7-dihydropurin-7-ium-6-one bromide Formula: C15H16BrN5O3 MolecularWeight: 394.22324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5O3.BrH/c1-8(21)13-17-12-11(14(22)19-15(16)18-12)20(13)7-9-3-5-10(23-2)6-4-9;/h3-6H,7H2,1-2H3,(H3,16,18,19,22);1H