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

Systemtic Name: 2-[[6-azanyl-5-[(2-methyl-3-nitro-phenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethyl-diethyl-azanium Openeye Name: 2-[[6-amino-5-[(2-methyl-3-nitro-benzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]ethyl-diethyl-ammonium CAS Name: 2-[[6-amino-5-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]ethyl-diethylammonium IUPAC Name: 2-[[6-amino-5-[(2-methyl-3-nitrobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]ethyl-diethylazanium Traditional Name: 2-[[6-amino-4-keto-5-[(2-methyl-3-nitro-benzoyl)amino]-1H-pyrimidin-2-yl]thio]ethyl-diethyl-ammonium Formula: C18H25N6O4S+ MolecularWeight: 421.4939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6O4S/c1-4-23(5-2)9-10-29-18-21-15(19)14(17(26)22-18)20-16(25)12-7-6-8-13(11(12)3)24(27)28/h6-8H,4-5,9-10H2,1-3H3,(H,20,25)(H3,19,21,22,26)/p+1