3-[4-azanyl-6-[oxidanyl-(2-pyrrolidin-1-ylpyridin-3-yl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzenecarbonitrile

Systemtic Name: 3-[4-azanyl-6-[oxidanyl-(2-pyrrolidin-1-ylpyridin-3-yl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 3-[4-amino-6-[hydroxy-(2-pyrrolidin-1-yl-3-pyridyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile CAS Name: 3-[4-amino-6-[hydroxy-[2-(1-pyrrolidinyl)-3-pyridinyl]methyl]-2-thieno[2,3-d]pyrimidinyl]benzonitrile IUPAC Name: 3-[4-amino-6-[hydroxy-(2-pyrrolidin-1-ylpyridin-3-yl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile Traditional Name: 3-[4-amino-6-[hydroxy-(2-pyrrolidino-3-pyridyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile Formula: C23H20N6OS MolecularWeight: 428.5095

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=N2)C(C3=CC4=C(N=C(N=C4S3)C5=CC=CC(=C5)C#N)N)O

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=N2)C(C3=CC4=C(N=C(N=C4S3)C5=CC=CC(=C5)C#N)N)O

InChI

InChI=1S/C23H20N6OS/c24-13-14-5-3-6-15(11-14)21-27-20(25)17-12-18(31-23(17)28-21)19(30)16-7-4-8-26-22(16)29-9-1-2-10-29/h3-8,11-12,19,30H,1-2,9-10H2,(H2,25,27,28)