5,6-dimethyl-2-[[4-(1-methylpyrazol-4-yl)carbonylpiperazin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[[4-(1-methylpyrazol-4-yl)carbonylpiperazin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[[4-(1-methylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[4-[(1-methyl-4-pyrazolyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[[4-(1-methylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[[4-(1-methylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H23N6O2S+ MolecularWeight: 387.47922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O2S/c1-11-12(2)27-17-15(11)16(25)20-14(21-17)10-23-4-6-24(7-5-23)18(26)13-8-19-22(3)9-13/h8-9H,4-7,10H2,1-3H3,(H,20,21,25)/p+1