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

Systemtic Name: 6-ethanoyl-5-methyl-2-[[4-[(2R)-oxolan-2-yl]carbonylpiperazin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-acetyl-5-methyl-2-[[4-[(2R)-tetrahydrofuran-2-carbonyl]piperazin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-acetyl-5-methyl-2-[[4-[oxo-[(2R)-2-oxolanyl]methyl]-1-piperazin-1-iumyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-acetyl-5-methyl-2-[[4-[(2R)-oxolane-2-carbonyl]piperazin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-acetyl-5-methyl-2-[[4-[(2R)-tetrahydrofuran-2-carbonyl]piperazin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C19H25N4O4S+ MolecularWeight: 405.4912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCN(CC3)C(=O)C4CCCO4)C(=O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCN(CC3)C(=O)[C@H]4CCCO4)C(=O)C

InChI

InChI=1S/C19H24N4O4S/c1-11-15-17(25)20-14(21-18(15)28-16(11)12(2)24)10-22-5-7-23(8-6-22)19(26)13-4-3-9-27-13/h13H,3-10H2,1-2H3,(H,20,21,25)/p+1/t13-/m1/s1