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

Systemtic Name: 3-[4-azanyl-6-[oxidanyl-(6-piperidin-1-ylpyridin-3-yl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 3-[4-amino-6-[hydroxy-[6-(1-piperidyl)-3-pyridyl]methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile CAS Name: 3-[4-amino-6-[hydroxy-[6-(1-piperidinyl)-3-pyridinyl]methyl]-2-thieno[2,3-d]pyrimidinyl]benzonitrile IUPAC Name: 3-[4-amino-6-[hydroxy-(6-piperidin-1-ylpyridin-3-yl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile Traditional Name: 3-[4-amino-6-[hydroxy-(6-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=NC=C(C=C2)C(C3=CC4=C(N=C(N=C4S3)C5=CC=CC(=C5)C#N)N)O

Isomeric SMILES

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

InChI

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