ethyl 3-[[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]carbamothioylamino]butanoate

Systemtic Name: ethyl 3-[[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]carbamothioylamino]butanoate Openeye Name: ethyl 3-[[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]carbamothioylamino]butanoate CAS Name: 3-[[[[4-[2-cyanoethyl(propyl)amino]-5-pyrimidinyl]amino]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]carbamothioylamino]butanoate Traditional Name: 3-[[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]thiocarbamoylamino]butyric acid ethyl ester Formula: C17H26N6O2S MolecularWeight: 378.49234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N6O2S/c1-4-8-23(9-6-7-18)16-14(11-19-12-20-16)22-17(26)21-13(3)10-15(24)25-5-2/h11-13H,4-6,8-10H2,1-3H3,(H2,21,22,26)