ethyl 2-[[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]carbamothioylamino]ethanoate

Systemtic Name: ethyl 2-[[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]carbamothioylamino]ethanoate Openeye Name: ethyl 2-[[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]carbamothioylamino]acetate CAS Name: 2-[[[[4-[2-cyanoethyl(propyl)amino]-5-pyrimidinyl]amino]-sulfanylidenemethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]carbamothioylamino]acetate Traditional Name: 2-[[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]thiocarbamoylamino]acetic acid ethyl ester Formula: C15H22N6O2S MolecularWeight: 350.43918

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC#N)C1=NC=NC=C1NC(=S)NCC(=O)OCC

Isomeric SMILES

CCCN(CCC#N)C1=NC=NC=C1NC(=S)NCC(=O)OCC

InChI

InChI=1S/C15H22N6O2S/c1-3-7-21(8-5-6-16)14-12(9-17-11-19-14)20-15(24)18-10-13(22)23-4-2/h9,11H,3-5,7-8,10H2,1-2H3,(H2,18,20,24)