2-[[6-azanyl-5-[(3,4-dimethoxyphenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethyl-diethyl-azanium

Systemtic Name: 2-[[6-azanyl-5-[(3,4-dimethoxyphenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethyl-diethyl-azanium Openeye Name: 2-[[6-amino-5-[(3,4-dimethoxybenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]ethyl-diethyl-ammonium CAS Name: 2-[[6-amino-5-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]ethyl-diethylammonium IUPAC Name: 2-[[6-amino-5-[(3,4-dimethoxybenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]ethyl-diethylazanium Traditional Name: 2-[[6-amino-4-keto-5-(veratroylamino)-1H-pyrimidin-2-yl]thio]ethyl-diethyl-ammonium Formula: C19H28N5O4S+ MolecularWeight: 422.52172

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O4S/c1-5-24(6-2)9-10-29-19-22-16(20)15(18(26)23-19)21-17(25)12-7-8-13(27-3)14(11-12)28-4/h7-8,11H,5-6,9-10H2,1-4H3,(H,21,25)(H3,20,22,23,26)/p+1