(5-bromanylthiophen-2-yl)methyl-[(5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methyl]-prop-2-enyl-azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[(5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-bromo-2-thienyl)methyl]-[(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl]ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl]-prop-2-enylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl]-prop-2-enylazanium Traditional Name: allyl-[(5-bromo-2-thienyl)methyl]-[(5-carbethoxy-2-keto-3,4-dihydro-1H-pyrimidin-6-yl)methyl]ammonium Formula: C16H21BrN3O3S+ MolecularWeight: 415.32524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)C[NH+](CC=C)CC2=CC=C(S2)Br

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)C[NH+](CC=C)CC2=CC=C(S2)Br

InChI

InChI=1S/C16H20BrN3O3S/c1-3-7-20(9-11-5-6-14(17)24-11)10-13-12(15(21)23-4-2)8-18-16(22)19-13/h3,5-6H,1,4,7-10H2,2H3,(H2,18,19,22)/p+1