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

Systemtic Name: 3-[4-azanyl-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 3-[4-amino-6-(3-pyridylmethyl)thieno[2,3-d]pyrimidin-2-yl]benzonitrile CAS Name: 3-[4-amino-6-(3-pyridinylmethyl)-2-thieno[2,3-d]pyrimidinyl]benzonitrile IUPAC Name: 3-[4-amino-6-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]benzonitrile Traditional Name: 3-[4-amino-6-(3-pyridylmethyl)thieno[2,3-d]pyrimidin-2-yl]benzonitrile Formula: C19H13N5S MolecularWeight: 343.40502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=NC(=C3C=C(SC3=N2)CC4=CN=CC=C4)N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C2=NC(=C3C=C(SC3=N2)CC4=CN=CC=C4)N)C#N

InChI

InChI=1S/C19H13N5S/c20-10-12-3-1-5-14(7-12)18-23-17(21)16-9-15(25-19(16)24-18)8-13-4-2-6-22-11-13/h1-7,9,11H,8H2,(H2,21,23,24)