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

Systemtic Name: 3-[4-azanyl-6-[(2-propan-2-yloxypyridin-3-yl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 3-[4-amino-6-[(2-isopropoxy-3-pyridyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile CAS Name: 3-[4-amino-6-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2-thieno[2,3-d]pyrimidinyl]benzonitrile IUPAC Name: 3-[4-amino-6-[(2-propan-2-yloxypyridin-3-yl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile Traditional Name: 3-[4-amino-6-[(2-isopropoxy-3-pyridyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile Formula: C22H19N5OS MolecularWeight: 401.48416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=CC=N1)CC2=CC3=C(N=C(N=C3S2)C4=CC=CC(=C4)C#N)N

Isomeric SMILES

CC(C)OC1=C(C=CC=N1)CC2=CC3=C(N=C(N=C3S2)C4=CC=CC(=C4)C#N)N

InChI

InChI=1S/C22H19N5OS/c1-13(2)28-21-16(7-4-8-25-21)10-17-11-18-19(24)26-20(27-22(18)29-17)15-6-3-5-14(9-15)12-23/h3-9,11,13H,10H2,1-2H3,(H2,24,26,27)