2-[[3-(2-chloranylpyridin-3-yl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]methylamino]benzenecarbonitrile

Systemtic Name: 2-[[3-(2-chloranylpyridin-3-yl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]methylamino]benzenecarbonitrile Openeye Name: 2-[[3-(2-chloro-3-pyridyl)-4-oxo-thieno[3,2-d]pyrimidin-2-yl]methylamino]benzonitrile CAS Name: 2-[[3-(2-chloro-3-pyridinyl)-4-oxo-2-thieno[3,2-d]pyrimidinyl]methylamino]benzonitrile IUPAC Name: 2-[[3-(2-chloropyridin-3-yl)-4-oxothieno[3,2-d]pyrimidin-2-yl]methylamino]benzonitrile Traditional Name: 2-[[3-(2-chloro-3-pyridyl)-4-keto-thieno[3,2-d]pyrimidin-2-yl]methylamino]benzonitrile Formula: C19H12ClN5OS MolecularWeight: 393.84948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)NCC2=NC3=C(C(=O)N2C4=C(N=CC=C4)Cl)SC=C3

Isomeric SMILES

C1=CC=C(C(=C1)C#N)NCC2=NC3=C(C(=O)N2C4=C(N=CC=C4)Cl)SC=C3

InChI

InChI=1S/C19H12ClN5OS/c20-18-15(6-3-8-22-18)25-16(24-14-7-9-27-17(14)19(25)26)11-23-13-5-2-1-4-12(13)10-21/h1-9,23H,11H2