3-[N,N'-di(propan-2-yl)carbamimidoyl]sulfanylquinoxaline-2-carboxylic acid

Systemtic Name: 3-[N,N'-di(propan-2-yl)carbamimidoyl]sulfanylquinoxaline-2-carboxylic acid Openeye Name: 3-(N,N'-diisopropylcarbamimidoyl)sulfanylquinoxaline-2-carboxylic acid CAS Name: 3-[[(propan-2-ylamino)-propan-2-yliminomethyl]thio]-2-quinoxalinecarboxylic acid IUPAC Name: 3-[N,N'-di(propan-2-yl)carbamimidoyl]sulfanylquinoxaline-2-carboxylic acid Traditional Name: 3-[(N,N'-diisopropylamidino)thio]quinoxaline-2-carboxylic acid Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=NC(C)C)SC1=NC2=CC=CC=C2N=C1C(=O)O

Isomeric SMILES

CC(C)NC(=NC(C)C)SC1=NC2=CC=CC=C2N=C1C(=O)O

InChI

InChI=1S/C16H20N4O2S/c1-9(2)17-16(18-10(3)4)23-14-13(15(21)22)19-11-7-5-6-8-12(11)20-14/h5-10H,1-4H3,(H,17,18)(H,21,22)