2-[[6-azanyl-5-[(4-ethoxyphenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethyl-diethyl-azanium

Systemtic Name: 2-[[6-azanyl-5-[(4-ethoxyphenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethyl-diethyl-azanium Openeye Name: 2-[[6-amino-5-[(4-ethoxybenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]ethyl-diethyl-ammonium CAS Name: 2-[[6-amino-5-[[(4-ethoxyphenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]ethyl-diethylammonium IUPAC Name: 2-[[6-amino-5-[(4-ethoxybenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]ethyl-diethylazanium Traditional Name: 2-[[6-amino-5-[(4-ethoxybenzoyl)amino]-4-keto-1H-pyrimidin-2-yl]thio]ethyl-diethyl-ammonium Formula: C19H28N5O3S+ MolecularWeight: 406.52232

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)OCC

Isomeric SMILES

CC[NH+](CC)CCSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)OCC

InChI

InChI=1S/C19H27N5O3S/c1-4-24(5-2)11-12-28-19-22-16(20)15(18(26)23-19)21-17(25)13-7-9-14(10-8-13)27-6-3/h7-10H,4-6,11-12H2,1-3H3,(H,21,25)(H3,20,22,23,26)/p+1