3-[(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)methyl]benzonitrile CAS Name: 3-[(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)methyl]benzonitrile IUPAC Name: 3-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]benzonitrile Traditional Name: 3-[(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzonitrile Formula: C16H13N3OS MolecularWeight: 295.35892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC(=C3)C#N)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=CC(=C3)C#N)C

InChI

InChI=1S/C16H13N3OS/c1-10-11(2)21-15-14(10)16(20)19(9-18-15)8-13-5-3-4-12(6-13)7-17/h3-6,9H,8H2,1-2H3