ethyl 2-[[[3-butyl-2,6-bis(oxidanylidene)-1-propyl-pyrimidin-4-yl]amino]carbamothioylamino]ethanoate

Systemtic Name: ethyl 2-[[[3-butyl-2,6-bis(oxidanylidene)-1-propyl-pyrimidin-4-yl]amino]carbamothioylamino]ethanoate Openeye Name: ethyl 2-[[(3-butyl-2,6-dioxo-1-propyl-pyrimidin-4-yl)amino]carbamothioylamino]acetate CAS Name: 2-[[[(3-butyl-2,6-dioxo-1-propyl-4-pyrimidinyl)hydrazo]-sulfanylidenemethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(3-butyl-2,6-dioxo-1-propylpyrimidin-4-yl)amino]carbamothioylamino]acetate Traditional Name: 2-[[(3-butyl-2,6-diketo-1-propyl-pyrimidin-4-yl)amino]thiocarbamoylamino]acetic acid ethyl ester Formula: C16H27N5O4S MolecularWeight: 385.48168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=O)N(C1=O)CCC)NNC(=S)NCC(=O)OCC

Isomeric SMILES

CCCCN1C(=CC(=O)N(C1=O)CCC)NNC(=S)NCC(=O)OCC

InChI

InChI=1S/C16H27N5O4S/c1-4-7-9-20-12(10-13(22)21(8-5-2)16(20)24)18-19-15(26)17-11-14(23)25-6-3/h10,18H,4-9,11H2,1-3H3,(H2,17,19,26)