2-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl-(phenylmethyl)azanium

Systemtic Name: 2-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-(8-bromo-3-methyl-2,6-dioxo-purin-7-yl)ethyl]ammonium CAS Name: 2-(8-bromo-3-methyl-2,6-dioxo-7-purinyl)ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)ethyl]azanium Traditional Name: benzyl-[2-(8-bromo-2,6-diketo-3-methyl-purin-7-yl)ethyl]ammonium Formula: C15H17BrN5O2+ MolecularWeight: 379.23178

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC[NH2+]CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC[NH2+]CC3=CC=CC=C3

InChI

InChI=1S/C15H16BrN5O2/c1-20-12-11(13(22)19-15(20)23)21(14(16)18-12)8-7-17-9-10-5-3-2-4-6-10/h2-6,17H,7-9H2,1H3,(H,19,22,23)/p+1