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

Systemtic Name: 3-[4-azanyl-6-[oxidanyl(pyridin-4-yl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 3-[4-amino-6-[hydroxy(4-pyridyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile CAS Name: 3-[4-amino-6-[hydroxy(pyridin-4-yl)methyl]-2-thieno[2,3-d]pyrimidinyl]benzonitrile IUPAC Name: 3-[4-amino-6-[hydroxy(pyridin-4-yl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile Traditional Name: 3-[4-amino-6-[hydroxy(4-pyridyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile Formula: C19H13N5OS MolecularWeight: 359.40442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13N5OS/c20-10-11-2-1-3-13(8-11)18-23-17(21)14-9-15(26-19(14)24-18)16(25)12-4-6-22-7-5-12/h1-9,16,25H,(H2,21,23,24)