2-[(6-azanyl-4-oxidanylidene-5H-imidazo[4,5-c]pyridin-1-yl)methoxy]ethyl 2-acetamido-3-(4-nitrooxybutanoylsulfanyl)propanoate

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-5H-imidazo[4,5-c]pyridin-1-yl)methoxy]ethyl 2-acetamido-3-(4-nitrooxybutanoylsulfanyl)propanoate Openeye Name: 2-[(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)methoxy]ethyl 2-acetamido-3-(4-nitrooxybutanoylsulfanyl)propanoate CAS Name: 2-acetamido-3-[(4-nitrooxy-1-oxobutyl)thio]propanoic acid 2-[(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)methoxy]ethyl ester IUPAC Name: 2-[(6-amino-4-oxo-5H-imidazo[4,5-c]pyridin-1-yl)methoxy]ethyl 2-acetamido-3-(4-nitrooxybutanoylsulfanyl)propanoate Traditional Name: 2-acetamido-3-(4-nitrooxybutanoylthio)propionic acid 2-[(6-amino-4-keto-5H-imidazo[4,5-c]pyridin-1-yl)methoxy]ethyl ester Formula: C18H24N6O9S MolecularWeight: 500.48296

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC(=O)CCCO[N+](=O)[O-])C(=O)OCCOCN1C=NC2=C1C=C(NC2=O)N

Isomeric SMILES

CC(=O)NC(CSC(=O)CCCO[N+](=O)[O-])C(=O)OCCOCN1C=NC2=C1C=C(NC2=O)N

InChI

InChI=1S/C18H24N6O9S/c1-11(25)21-12(8-34-15(26)3-2-4-33-24(29)30)18(28)32-6-5-31-10-23-9-20-16-13(23)7-14(19)22-17(16)27/h7,9,12H,2-6,8,10H2,1H3,(H,21,25)(H3,19,22,27)