ethyl 4-[[4-(cyclopropylamino)pyrimidin-5-yl]carbamothioylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[4-(cyclopropylamino)pyrimidin-5-yl]carbamothioylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-(cyclopropylamino)pyrimidin-5-yl]carbamothioylamino]piperidine-1-carboxylate CAS Name: 4-[[[[4-(cyclopropylamino)-5-pyrimidinyl]amino]-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(cyclopropylamino)pyrimidin-5-yl]carbamothioylamino]piperidine-1-carboxylate Traditional Name: 4-[[4-(cyclopropylamino)pyrimidin-5-yl]thiocarbamoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C16H24N6O2S MolecularWeight: 364.46576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=S)NC2=CN=CN=C2NC3CC3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=S)NC2=CN=CN=C2NC3CC3

InChI

InChI=1S/C16H24N6O2S/c1-2-24-16(23)22-7-5-12(6-8-22)20-15(25)21-13-9-17-10-18-14(13)19-11-3-4-11/h9-12H,2-8H2,1H3,(H,17,18,19)(H2,20,21,25)