5-methyl-2-phenyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine-6-carbonitrile

Systemtic Name: 5-methyl-2-phenyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine-6-carbonitrile Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carbonitrile CAS Name: 5-methyl-2-phenyl-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]-6-thieno[2,3-d]pyrimidinecarbonitrile IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carbonitrile Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carbonitrile Formula: C25H24N5S+ MolecularWeight: 426.55656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC=CC=C5)C#N

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C25H23N5S/c1-18-21(16-26)31-25-22(18)24(27-23(28-25)20-10-6-3-7-11-20)30-14-12-29(13-15-30)17-19-8-4-2-5-9-19/h2-11H,12-15,17H2,1H3/p+1