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

Systemtic Name: 3-[4-azanyl-6-[oxidanyl-(2-piperidin-1-ylpyridin-3-yl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 3-[4-amino-6-[hydroxy-[2-(1-piperidyl)-3-pyridyl]methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile CAS Name: 3-[4-amino-6-[hydroxy-[2-(1-piperidinyl)-3-pyridinyl]methyl]-2-thieno[2,3-d]pyrimidinyl]benzonitrile IUPAC Name: 3-[4-amino-6-[hydroxy-(2-piperidin-1-ylpyridin-3-yl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile Traditional Name: 3-[4-amino-6-[hydroxy-(2-piperidino-3-pyridyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile Formula: C24H22N6OS MolecularWeight: 442.53608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=CC=N2)C(C3=CC4=C(N=C(N=C4S3)C5=CC=CC(=C5)C#N)N)O

Isomeric SMILES

C1CCN(CC1)C2=C(C=CC=N2)C(C3=CC4=C(N=C(N=C4S3)C5=CC=CC(=C5)C#N)N)O

InChI

InChI=1S/C24H22N6OS/c25-14-15-6-4-7-16(12-15)22-28-21(26)18-13-19(32-24(18)29-22)20(31)17-8-5-9-27-23(17)30-10-2-1-3-11-30/h4-9,12-13,20,31H,1-3,10-11H2,(H2,26,28,29)