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

Systemtic Name: 2-[[6-azanyl-5-[(4-chlorophenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethyl-diethyl-azanium Openeye Name: 2-[[6-amino-5-[(4-chlorobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]ethyl-diethyl-ammonium CAS Name: 2-[[6-amino-5-[[(4-chlorophenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]ethyl-diethylammonium IUPAC Name: 2-[[6-amino-5-[(4-chlorobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]ethyl-diethylazanium Traditional Name: 2-[[6-amino-5-[(4-chlorobenzoyl)amino]-4-keto-1H-pyrimidin-2-yl]thio]ethyl-diethyl-ammonium Formula: C17H23ClN5O2S+ MolecularWeight: 396.91482

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClN5O2S/c1-3-23(4-2)9-10-26-17-21-14(19)13(16(25)22-17)20-15(24)11-5-7-12(18)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,20,24)(H3,19,21,22,25)/p+1