[[4,6-dimethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-thieno[2,3-b]pyridin-3-yl]amino]methylidene-dimethyl-azanium

Systemtic Name: [[4,6-dimethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-thieno[2,3-b]pyridin-3-yl]amino]methylidene-dimethyl-azanium Openeye Name: [[4,6-dimethyl-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]amino]methylene-dimethyl-ammonium CAS Name: [[4,6-dimethyl-2-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3-thieno[2,3-b]pyridinyl]amino]methylidene-dimethylammonium IUPAC Name: [[4,6-dimethyl-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]amino]methylidene-dimethylazanium Traditional Name: [[4,6-dimethyl-2-[4-(2-pyrimidyl)piperazine-1-carbonyl]thieno[2,3-b]pyridin-3-yl]amino]methylene-dimethyl-ammonium Formula: C21H26N7OS+ MolecularWeight: 424.54244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)N3CCN(CC3)C4=NC=CC=N4)NC=[N+](C)C)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)N3CCN(CC3)C4=NC=CC=N4)NC=[N+](C)C)C

InChI

InChI=1S/C21H25N7OS/c1-14-12-15(2)25-19-16(14)17(24-13-26(3)4)18(30-19)20(29)27-8-10-28(11-9-27)21-22-6-5-7-23-21/h5-7,12-13H,8-11H2,1-4H3/p+1