3-[(E)-2-(propan-2-ylamino)propan-2-yliminomethyl]sulfanylquinoxaline-2-carboxylic acid

Systemtic Name: 3-[(E)-2-(propan-2-ylamino)propan-2-yliminomethyl]sulfanylquinoxaline-2-carboxylic acid Openeye Name: 3-[(E)-[1-(isopropylamino)-1-methyl-ethyl]iminomethyl]sulfanylquinoxaline-2-carboxylic acid CAS Name: 3-[[(E)-2-(propan-2-ylamino)propan-2-yliminomethyl]thio]-2-quinoxalinecarboxylic acid IUPAC Name: 3-[(E)-2-(propan-2-ylamino)propan-2-yliminomethyl]sulfanylquinoxaline-2-carboxylic acid Traditional Name: 3-[[(E)-[1-(isopropylamino)-1-methyl-ethyl]iminomethyl]thio]quinoxaline-2-carboxylic acid Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(C)(C)N=CSC1=NC2=CC=CC=C2N=C1C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O2S/c1-10(2)20-16(3,4)17-9-23-14-13(15(21)22)18-11-7-5-6-8-12(11)19-14/h5-10,20H,1-4H3,(H,21,22)/b17-9+