(2-azanyl-5-bromanyl-pyrimidin-4-yl)methyl benzoate

Systemtic Name: (2-azanyl-5-bromanyl-pyrimidin-4-yl)methyl benzoate Openeye Name: (2-amino-5-bromo-pyrimidin-4-yl)methyl benzoate CAS Name: benzoic acid (2-amino-5-bromo-4-pyrimidinyl)methyl ester IUPAC Name: (2-amino-5-bromopyrimidin-4-yl)methyl benzoate Traditional Name: benzoic acid (2-amino-5-bromo-pyrimidin-4-yl)methyl ester Formula: C12H10BrN3O2 MolecularWeight: 308.1307

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2=NC(=NC=C2Br)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC2=NC(=NC=C2Br)N

InChI

InChI=1S/C12H10BrN3O2/c13-9-6-15-12(14)16-10(9)7-18-11(17)8-4-2-1-3-5-8/h1-6H,7H2,(H2,14,15,16)