1-(4-aminophenyl)sulfonyl-4-azanyl-1-ethyl-pyrimidin-1-ium-2-one

Systemtic Name: 1-(4-aminophenyl)sulfonyl-4-azanyl-1-ethyl-pyrimidin-1-ium-2-one Openeye Name: 4-amino-1-(4-aminophenyl)sulfonyl-1-ethyl-pyrimidin-1-ium-2-one CAS Name: 4-amino-1-(4-aminophenyl)sulfonyl-1-ethyl-2-pyrimidin-1-iumone IUPAC Name: 4-amino-1-(4-aminophenyl)sulfonyl-1-ethylpyrimidin-1-ium-2-one Traditional Name: 4-amino-1-ethyl-1-sulfanilyl-pyrimidin-1-ium-2-one Formula: C12H15N4O3S+ MolecularWeight: 295.3375

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C=CC(=NC1=O)N)S(=O)(=O)C2=CC=C(C=C2)N

Isomeric SMILES

CC[N+]1(C=CC(=NC1=O)N)S(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C12H14N4O3S/c1-2-16(8-7-11(14)15-12(16)17)20(18,19)10-5-3-9(13)4-6-10/h3-8H,2,13H2,1H3,(H-,14,15,17)/p+1