3-[4-azanyl-6-[(3-bromanylpyridin-2-yl)-oxidanyl-methyl]thieno[2,3-d]pyrimidin-2-yl]benzenecarbonitrile

Systemtic Name: 3-[4-azanyl-6-[(3-bromanylpyridin-2-yl)-oxidanyl-methyl]thieno[2,3-d]pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 3-[4-amino-6-[(3-bromo-2-pyridyl)-hydroxy-methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile CAS Name: 3-[4-amino-6-[(3-bromo-2-pyridinyl)-hydroxymethyl]-2-thieno[2,3-d]pyrimidinyl]benzonitrile IUPAC Name: 3-[4-amino-6-[(3-bromopyridin-2-yl)-hydroxymethyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile Traditional Name: 3-[4-amino-6-[(3-bromo-2-pyridyl)-hydroxy-methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile Formula: C19H12BrN5OS MolecularWeight: 438.30048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=NC(=C3C=C(SC3=N2)C(C4=C(C=CC=N4)Br)O)N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C2=NC(=C3C=C(SC3=N2)C(C4=C(C=CC=N4)Br)O)N)C#N

InChI

InChI=1S/C19H12BrN5OS/c20-13-5-2-6-23-15(13)16(26)14-8-12-17(22)24-18(25-19(12)27-14)11-4-1-3-10(7-11)9-21/h1-8,16,26H,(H2,22,24,25)