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

Systemtic Name: 3-[4-azanyl-6-[(3-chloranylpyridin-4-yl)-oxidanyl-methyl]thieno[2,3-d]pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 3-[4-amino-6-[(3-chloro-4-pyridyl)-hydroxy-methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile CAS Name: 3-[4-amino-6-[(3-chloro-4-pyridinyl)-hydroxymethyl]-2-thieno[2,3-d]pyrimidinyl]benzonitrile IUPAC Name: 3-[4-amino-6-[(3-chloropyridin-4-yl)-hydroxymethyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile Traditional Name: 3-[4-amino-6-[(3-chloro-4-pyridyl)-hydroxy-methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile Formula: C19H12ClN5OS MolecularWeight: 393.84948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12ClN5OS/c20-14-9-23-5-4-12(14)16(26)15-7-13-17(22)24-18(25-19(13)27-15)11-3-1-2-10(6-11)8-21/h1-7,9,16,26H,(H2,22,24,25)