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

Systemtic Name: 2-[[6-azanyl-5-[(4-methylphenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethyl-diethyl-azanium Openeye Name: 2-[[6-amino-5-[(4-methylbenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]ethyl-diethyl-ammonium CAS Name: 2-[[6-amino-5-[[(4-methylphenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]ethyl-diethylammonium IUPAC Name: 2-[[6-amino-5-[(4-methylbenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]ethyl-diethylazanium Traditional Name: 2-[[6-amino-4-keto-5-(p-toluoylamino)-1H-pyrimidin-2-yl]thio]ethyl-diethyl-ammonium Formula: C18H26N5O2S+ MolecularWeight: 376.49634

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O2S/c1-4-23(5-2)10-11-26-18-21-15(19)14(17(25)22-18)20-16(24)13-8-6-12(3)7-9-13/h6-9H,4-5,10-11H2,1-3H3,(H,20,24)(H3,19,21,22,25)/p+1