4-[2-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide

Systemtic Name: 4-[2-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-2-oxidanylidene-ethyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide Openeye Name: 4-[2-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-2-oxo-ethyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide CAS Name: 4-[2-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-2-oxoethyl]-N,N-diethyl-1-piperazin-4-iumsulfonamide IUPAC Name: 4-[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-N,N-diethylpiperazin-4-ium-1-sulfonamide Traditional Name: 4-[2-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-2-keto-ethyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide Formula: C17H31N6O5S+ MolecularWeight: 431.53024

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)N(CC)CC)N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)N(CC)CC)N

InChI

InChI=1S/C17H30N6O5S/c1-4-7-23-15(18)14(16(25)19-17(23)26)13(24)12-20-8-10-22(11-9-20)29(27,28)21(5-2)6-3/h4-12,18H2,1-3H3,(H,19,25,26)/p+1