ethyl 4-[[4-(furan-2-ylmethylamino)pyrimidin-5-yl]carbamothioylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[4-(furan-2-ylmethylamino)pyrimidin-5-yl]carbamothioylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-(2-furylmethylamino)pyrimidin-5-yl]carbamothioylamino]piperidine-1-carboxylate CAS Name: 4-[[[[4-(2-furanylmethylamino)-5-pyrimidinyl]amino]-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(furan-2-ylmethylamino)pyrimidin-5-yl]carbamothioylamino]piperidine-1-carboxylate Traditional Name: 4-[[4-(2-furfurylamino)pyrimidin-5-yl]thiocarbamoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C18H24N6O3S MolecularWeight: 404.48656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=S)NC2=CN=CN=C2NCC3=CC=CO3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=S)NC2=CN=CN=C2NCC3=CC=CO3

InChI

InChI=1S/C18H24N6O3S/c1-2-26-18(25)24-7-5-13(6-8-24)22-17(28)23-15-11-19-12-21-16(15)20-10-14-4-3-9-27-14/h3-4,9,11-13H,2,5-8,10H2,1H3,(H,19,20,21)(H2,22,23,28)