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

Systemtic Name: 4-[(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(4-amino-5,6-dimethyl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]benzonitrile IUPAC Name: 4-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C16H14N4S2 MolecularWeight: 326.43916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N)SCC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N)SCC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C16H14N4S2/c1-9-10(2)22-15-13(9)14(18)19-16(20-15)21-8-12-5-3-11(7-17)4-6-12/h3-6H,8H2,1-2H3,(H2,18,19,20)