3-(3-azanylidene-1H-isoindol-2-yl)-5-phenyl-thieno[2,3-d]pyrimidin-4-one hydrobromide

Systemtic Name: 3-(3-azanylidene-1H-isoindol-2-yl)-5-phenyl-thieno[2,3-d]pyrimidin-4-one hydrobromide Openeye Name: 3-(1-iminoisoindolin-2-yl)-5-phenyl-thieno[2,3-d]pyrimidin-4-one hydrobromide CAS Name: 3-(3-imino-1H-isoindol-2-yl)-5-phenyl-4-thieno[2,3-d]pyrimidinone hydrobromide IUPAC Name: 3-(3-imino-1H-isoindol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-one hydrobromide Traditional Name: 3-(1-iminoisoindolin-2-yl)-5-phenyl-thieno[2,3-d]pyrimidin-4-one hydrobromide Formula: C20H15BrN4OS MolecularWeight: 439.3283

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=N)N1N3C=NC4=C(C3=O)C(=CS4)C5=CC=CC=C5.Br

Isomeric SMILES

C1C2=CC=CC=C2C(=N)N1N3C=NC4=C(C3=O)C(=CS4)C5=CC=CC=C5.Br

InChI

InChI=1S/C20H14N4OS.BrH/c21-18-15-9-5-4-8-14(15)10-23(18)24-12-22-19-17(20(24)25)16(11-26-19)13-6-2-1-3-7-13;/h1-9,11-12,21H,10H2;1H