4-[(3-bromophenyl)amino]-1H-pyrrolo[2,1-f][1,2,4]triazin-5-one

Systemtic Name: 4-[(3-bromophenyl)amino]-1H-pyrrolo[2,1-f][1,2,4]triazin-5-one Openeye Name: 4-(3-bromoanilino)-1H-pyrrolo[2,1-f][1,2,4]triazin-5-one CAS Name: 4-(3-bromoanilino)-1H-pyrrolo[2,1-f][1,2,4]triazin-5-one IUPAC Name: 4-(3-bromoanilino)-1H-pyrrolo[2,1-f][1,2,4]triazin-5-one Traditional Name: 4-(3-bromoanilino)-1H-pyrrolo[2,1-f][1,2,4]triazin-5-one Formula: C12H9BrN4O MolecularWeight: 305.13006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2=C3C(=O)C=CN3NC=N2

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2=C3C(=O)C=CN3NC=N2

InChI

InChI=1S/C12H9BrN4O/c13-8-2-1-3-9(6-8)16-12-11-10(18)4-5-17(11)15-7-14-12/h1-7,16H,(H,14,15)