diethyl-[2-[[4-oxidanylidene-6-(propanoylamino)-5-(thiophen-2-ylcarbonylamino)-1H-pyrimidin-2-yl]sulfanyl]ethyl]azanium

Systemtic Name: diethyl-[2-[[4-oxidanylidene-6-(propanoylamino)-5-(thiophen-2-ylcarbonylamino)-1H-pyrimidin-2-yl]sulfanyl]ethyl]azanium Openeye Name: diethyl-[2-[[4-oxo-6-(propanoylamino)-5-(thiophene-2-carbonylamino)-1H-pyrimidin-2-yl]sulfanyl]ethyl]ammonium CAS Name: diethyl-[2-[[4-oxo-6-(1-oxopropylamino)-5-[[oxo(thiophen-2-yl)methyl]amino]-1H-pyrimidin-2-yl]thio]ethyl]ammonium IUPAC Name: diethyl-[2-[[4-oxo-6-(propanoylamino)-5-(thiophene-2-carbonylamino)-1H-pyrimidin-2-yl]sulfanyl]ethyl]azanium Traditional Name: diethyl-[2-[[4-keto-6-propionamido-5-(2-thenoylamino)-1H-pyrimidin-2-yl]thio]ethyl]ammonium Formula: C18H26N5O3S2+ MolecularWeight: 424.56074

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=O)N=C(N1)SCC[NH+](CC)CC)NC(=O)C2=CC=CS2

Isomeric SMILES

CCC(=O)NC1=C(C(=O)N=C(N1)SCC[NH+](CC)CC)NC(=O)C2=CC=CS2

InChI

InChI=1S/C18H25N5O3S2/c1-4-13(24)19-15-14(20-16(25)12-8-7-10-27-12)17(26)22-18(21-15)28-11-9-23(5-2)6-3/h7-8,10H,4-6,9,11H2,1-3H3,(H,20,25)(H2,19,21,22,24,26)/p+1