3-[5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide

Systemtic Name: 3-[5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide Openeye Name: 3-[4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide CAS Name: 3-[5-(4-methylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]propanamide IUPAC Name: 3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide Traditional Name: 3-[4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)propionamide Formula: C22H27N4O2S+ MolecularWeight: 411.54038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CCC(=O)NCC[NH+]4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CCC(=O)NCC[NH+]4CCCC4

InChI

InChI=1S/C22H26N4O2S/c1-16-4-6-17(7-5-16)18-14-29-21-20(18)22(28)26(15-24-21)12-8-19(27)23-9-13-25-10-2-3-11-25/h4-7,14-15H,2-3,8-13H2,1H3,(H,23,27)/p+1