6-(1H-benzimidazol-2-yl)-1-(hydroxymethyl)-3-methyl-1-(2-methylpropyl)thieno[2,3-d]pyrimidin-1-ium-2,4-dione

Systemtic Name: 6-(1H-benzimidazol-2-yl)-1-(hydroxymethyl)-3-methyl-1-(2-methylpropyl)thieno[2,3-d]pyrimidin-1-ium-2,4-dione Openeye Name: 6-(1H-benzimidazol-2-yl)-1-(hydroxymethyl)-1-isobutyl-3-methyl-thieno[2,3-d]pyrimidin-1-ium-2,4-dione CAS Name: 6-(1H-benzimidazol-2-yl)-1-(hydroxymethyl)-3-methyl-1-(2-methylpropyl)thieno[2,3-d]pyrimidin-1-ium-2,4-dione IUPAC Name: 6-(1H-benzimidazol-2-yl)-1-(hydroxymethyl)-3-methyl-1-(2-methylpropyl)thieno[2,3-d]pyrimidin-1-ium-2,4-dione Traditional Name: 6-(1H-benzimidazol-2-yl)-1-isobutyl-3-methyl-1-methylol-thieno[2,3-d]pyrimidin-1-ium-2,4-quinone Formula: C19H21N4O3S+ MolecularWeight: 385.46004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[N+]1(C2=C(C=C(S2)C3=NC4=CC=CC=C4N3)C(=O)N(C1=O)C)CO

Isomeric SMILES

CC(C)C[N+]1(C2=C(C=C(S2)C3=NC4=CC=CC=C4N3)C(=O)N(C1=O)C)CO

InChI

InChI=1S/C19H21N4O3S/c1-11(2)9-23(10-24)18-12(17(25)22(3)19(23)26)8-15(27-18)16-20-13-6-4-5-7-14(13)21-16/h4-8,11,24H,9-10H2,1-3H3,(H,20,21)/q+1