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

Systemtic Name: 2-(morpholin-4-ium-4-ylmethyl)-3-(2-oxidanylidenepropyl)-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-acetonyl-2-(morpholin-4-ium-4-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(4-morpholin-4-iumylmethyl)-3-(2-oxopropyl)-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-(morpholin-4-ium-4-ylmethyl)-3-(2-oxopropyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-acetonyl-2-(morpholin-4-ium-4-ylmethyl)-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C18H20N3O3S2+ MolecularWeight: 390.4997

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3S2/c1-12(22)9-21-15(10-20-4-6-24-7-5-20)19-17-16(18(21)23)13(11-26-17)14-3-2-8-25-14/h2-3,8,11H,4-7,9-10H2,1H3/p+1