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

Systemtic Name: ethyl 2-[[4-[2-cyanoethyl(furan-2-ylmethyl)amino]pyrimidin-5-yl]carbamothioylamino]ethanoate Openeye Name: ethyl 2-[[4-[2-cyanoethyl(2-furylmethyl)amino]pyrimidin-5-yl]carbamothioylamino]acetate CAS Name: 2-[[[[4-[2-cyanoethyl(2-furanylmethyl)amino]-5-pyrimidinyl]amino]-sulfanylidenemethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-[2-cyanoethyl(furan-2-ylmethyl)amino]pyrimidin-5-yl]carbamothioylamino]acetate Traditional Name: 2-[[4-[2-cyanoethyl(2-furfuryl)amino]pyrimidin-5-yl]thiocarbamoylamino]acetic acid ethyl ester Formula: C17H20N6O3S MolecularWeight: 388.4441

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=S)NC1=CN=CN=C1N(CCC#N)CC2=CC=CO2

Isomeric SMILES

CCOC(=O)CNC(=S)NC1=CN=CN=C1N(CCC#N)CC2=CC=CO2

InChI

InChI=1S/C17H20N6O3S/c1-2-25-15(24)10-20-17(27)22-14-9-19-12-21-16(14)23(7-4-6-18)11-13-5-3-8-26-13/h3,5,8-9,12H,2,4,7,10-11H2,1H3,(H2,20,22,27)