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

Systemtic Name: 3-[5,6-dimethyl-4-oxidanylidene-2-(phenylmethyl)thieno[2,3-d]pyrimidin-3-yl]propanenitrile Openeye Name: 3-(2-benzyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)propanenitrile CAS Name: 3-[5,6-dimethyl-4-oxo-2-(phenylmethyl)-3-thieno[2,3-d]pyrimidinyl]propanenitrile IUPAC Name: 3-(2-benzyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanenitrile Traditional Name: 3-(2-benzyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)propionitrile Formula: C18H17N3OS MolecularWeight: 323.41208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3OS/c1-12-13(2)23-17-16(12)18(22)21(10-6-9-19)15(20-17)11-14-7-4-3-5-8-14/h3-5,7-8H,6,10-11H2,1-2H3