4-[[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl-propyl-amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl-propyl-amino]methyl]benzenecarbonitrile Openeye Name: 4-[[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl-propyl-amino]methyl]benzonitrile CAS Name: 4-[[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl-propylamino]methyl]benzonitrile IUPAC Name: 4-[[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl-propylamino]methyl]benzonitrile Traditional Name: 4-[[(4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl-propyl-amino]methyl]benzonitrile Formula: C18H18N4OS MolecularWeight: 338.42672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)C#N)CC2=NC(=O)C3=C(N2)C=CS3

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)C#N)CC2=NC(=O)C3=C(N2)C=CS3

InChI

InChI=1S/C18H18N4OS/c1-2-8-22(11-14-5-3-13(10-19)4-6-14)12-16-20-15-7-9-24-17(15)18(23)21-16/h3-7,9H,2,8,11-12H2,1H3,(H,20,21,23)