4-[[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C20H22N5S+ MolecularWeight: 364.48718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5S/c1-14-15(2)26-20-18(14)19(22-13-23-20)25-9-7-24(8-10-25)12-17-5-3-16(11-21)4-6-17/h3-6,13H,7-10,12H2,1-2H3/p+1