3-[(2-methyl-2-nitrososulfanyl-propyl)carbamoyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[(2-methyl-2-nitrososulfanyl-propyl)carbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-[(2-methyl-2-nitrososulfanyl-propyl)carbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-[[[2-methyl-2-(nitrosothio)propyl]amino]-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[(2-methyl-2-nitrososulfanylpropyl)carbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-[[2-methyl-2-(nitrosothio)propyl]carbamoyl]pyrazinoic acid Formula: C10H12N4O4S MolecularWeight: 284.29168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=NC=CN=C1C(=O)O)SN=O

Isomeric SMILES

CC(C)(CNC(=O)C1=NC=CN=C1C(=O)O)SN=O

InChI

InChI=1S/C10H12N4O4S/c1-10(2,19-14-18)5-13-8(15)6-7(9(16)17)12-4-3-11-6/h3-4H,5H2,1-2H3,(H,13,15)(H,16,17)