2-[5-[(4-bromophenyl)methyl]-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-1-yl]ethylazanium

Systemtic Name: 2-[5-[(4-bromophenyl)methyl]-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-1-yl]ethylazanium Openeye Name: 2-[5-[(4-bromophenyl)methyl]-4-oxo-pyrazolo[3,4-d]pyrimidin-1-yl]ethylammonium CAS Name: 2-[5-[(4-bromophenyl)methyl]-4-oxo-1-pyrazolo[3,4-d]pyrimidinyl]ethylammonium IUPAC Name: 2-[5-[(4-bromophenyl)methyl]-4-oxopyrazolo[3,4-d]pyrimidin-1-yl]ethylazanium Traditional Name: 2-[5-(4-bromobenzyl)-4-keto-pyrazolo[3,4-d]pyrimidin-1-yl]ethylammonium Formula: C14H15BrN5O+ MolecularWeight: 349.2058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC3=C(C2=O)C=NN3CC[NH3+])Br

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC3=C(C2=O)C=NN3CC[NH3+])Br

InChI

InChI=1S/C14H14BrN5O/c15-11-3-1-10(2-4-11)8-19-9-17-13-12(14(19)21)7-18-20(13)6-5-16/h1-4,7,9H,5-6,8,16H2/p+1