diethyl-[[6-oxidanyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-thiophen-2-yl-methyl]azanium

Systemtic Name: diethyl-[[6-oxidanyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-thiophen-2-yl-methyl]azanium Openeye Name: diethyl-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-(2-thienyl)methyl]ammonium CAS Name: diethyl-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-thiophen-2-ylmethyl]ammonium IUPAC Name: diethyl-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)-thiophen-2-ylmethyl]azanium Traditional Name: diethyl-[(6-hydroxy-2,4-diketo-1H-pyrimidin-5-yl)-(2-thienyl)methyl]ammonium Formula: C13H18N3O3S+ MolecularWeight: 296.36532

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(C1=CC=CS1)C2=C(NC(=O)NC2=O)O

Isomeric SMILES

CC[NH+](CC)C(C1=CC=CS1)C2=C(NC(=O)NC2=O)O

InChI

InChI=1S/C13H17N3O3S/c1-3-16(4-2)10(8-6-5-7-20-8)9-11(17)14-13(19)15-12(9)18/h5-7,10H,3-4H2,1-2H3,(H3,14,15,17,18,19)/p+1