5,6-dimethyl-2-[(1S)-1-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[(1S)-1-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[(1S)-1-(4-thiazol-2-ylpiperazin-1-ium-1-yl)ethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[(1S)-1-[4-(2-thiazolyl)-1-piperazin-1-iumyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[(1S)-1-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[(1S)-1-(4-thiazol-2-ylpiperazin-1-ium-1-yl)ethyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C17H22N5OS2+ MolecularWeight: 376.51948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C(C)[NH+]3CCN(CC3)C4=NC=CS4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)[C@H](C)[NH+]3CCN(CC3)C4=NC=CS4)C

InChI

InChI=1S/C17H21N5OS2/c1-10-12(3)25-16-13(10)15(23)19-14(20-16)11(2)21-5-7-22(8-6-21)17-18-4-9-24-17/h4,9,11H,5-8H2,1-3H3,(H,19,20,23)/p+1/t11-/m0/s1