2-carbamimidoylsulfanyl-2-(pyridin-4-ylcarbonylamino)ethanoic acid

Systemtic Name: 2-carbamimidoylsulfanyl-2-(pyridin-4-ylcarbonylamino)ethanoic acid Openeye Name: 2-carbamimidoylsulfanyl-2-(pyridine-4-carbonylamino)acetic acid CAS Name: 2-(carbamimidoylthio)-2-[[oxo(pyridin-4-yl)methyl]amino]acetic acid IUPAC Name: 2-carbamimidoylsulfanyl-2-(pyridine-4-carbonylamino)acetic acid Traditional Name: 2-(amidinothio)-2-isonicotinamido-acetic acid Formula: C9H10N4O3S MolecularWeight: 254.2657

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C(=O)NC(C(=O)O)SC(=N)N

Isomeric SMILES

C1=CN=CC=C1C(=O)NC(C(=O)O)SC(=N)N

InChI

InChI=1S/C9H10N4O3S/c10-9(11)17-7(8(15)16)13-6(14)5-1-3-12-4-2-5/h1-4,7H,(H3,10,11)(H,13,14)(H,15,16)