3-(2-methylpropyl)-2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(2-methylpropyl)-2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-isobutyl-2-(morpholin-4-ium-4-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(2-methylpropyl)-2-(4-morpholin-4-iumylmethyl)-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(2-methylpropyl)-2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-isobutyl-2-(morpholin-4-ium-4-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C19H24N3O2S2+ MolecularWeight: 390.54276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NC2=C(C1=O)C(=CS2)C3=CC=CS3)C[NH+]4CCOCC4

Isomeric SMILES

CC(C)CN1C(=NC2=C(C1=O)C(=CS2)C3=CC=CS3)C[NH+]4CCOCC4

InChI

InChI=1S/C19H23N3O2S2/c1-13(2)10-22-16(11-21-5-7-24-8-6-21)20-18-17(19(22)23)14(12-26-18)15-4-3-9-25-15/h3-4,9,12-13H,5-8,10-11H2,1-2H3/p+1