ethyl N-(6-azanyl-4-carbamimidoylsulfanyl-5-nitro-pyridin-2-yl)carbamate

Systemtic Name: ethyl N-(6-azanyl-4-carbamimidoylsulfanyl-5-nitro-pyridin-2-yl)carbamate Openeye Name: ethyl N-(6-amino-4-carbamimidoylsulfanyl-5-nitro-2-pyridyl)carbamate CAS Name: N-[6-amino-4-(carbamimidoylthio)-5-nitro-2-pyridinyl]carbamic acid ethyl ester IUPAC Name: ethyl N-(6-amino-4-carbamimidoylsulfanyl-5-nitropyridin-2-yl)carbamate Traditional Name: N-[4-(amidinothio)-6-amino-5-nitro-2-pyridyl]carbamic acid ethyl ester Formula: C9H12N6O4S MolecularWeight: 300.29438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=NC(=C(C(=C1)SC(=N)N)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)NC1=NC(=C(C(=C1)SC(=N)N)[N+](=O)[O-])N

InChI

InChI=1S/C9H12N6O4S/c1-2-19-9(16)14-5-3-4(20-8(11)12)6(15(17)18)7(10)13-5/h3H,2H2,1H3,(H3,11,12)(H3,10,13,14,16)