3-[4-azanyl-6-[(2-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzenecarbonitrile

Systemtic Name: 3-[4-azanyl-6-[(2-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 3-[4-amino-6-[(2-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile CAS Name: 3-[4-amino-6-[(2-chlorophenyl)methyl]-2-thieno[2,3-d]pyrimidinyl]benzonitrile IUPAC Name: 3-[4-amino-6-[(2-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile Traditional Name: 3-[4-amino-6-(2-chlorobenzyl)thieno[2,3-d]pyrimidin-2-yl]benzonitrile Formula: C20H13ClN4S MolecularWeight: 376.86202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=CC3=C(N=C(N=C3S2)C4=CC=CC(=C4)C#N)N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CC2=CC3=C(N=C(N=C3S2)C4=CC=CC(=C4)C#N)N)Cl

InChI

InChI=1S/C20H13ClN4S/c21-17-7-2-1-5-13(17)9-15-10-16-18(23)24-19(25-20(16)26-15)14-6-3-4-12(8-14)11-22/h1-8,10H,9H2,(H2,23,24,25)