N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-ethyl-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-ethyl-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-ethyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-ethyl-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-ethyl-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C17H23N5O4S MolecularWeight: 393.46062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)CSC2=CC=CC=[N+]2[O-])N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)CSC2=CC=CC=[N+]2[O-])N

InChI

InChI=1S/C17H23N5O4S/c1-3-5-9-21-15(18)14(16(24)19-17(21)25)20(4-2)12(23)11-27-13-8-6-7-10-22(13)26/h6-8,10H,3-5,9,11,18H2,1-2H3,(H,19,24,25)