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

Systemtic Name: ethyl 4-[[4-[[5-(hydroxymethyl)furan-2-yl]methylamino]pyrimidin-5-yl]carbamothioylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-[[5-(hydroxymethyl)-2-furyl]methylamino]pyrimidin-5-yl]carbamothioylamino]piperidine-1-carboxylate CAS Name: 4-[[[[4-[[5-(hydroxymethyl)-2-furanyl]methylamino]-5-pyrimidinyl]amino]-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-[[5-(hydroxymethyl)furan-2-yl]methylamino]pyrimidin-5-yl]carbamothioylamino]piperidine-1-carboxylate Traditional Name: 4-[[4-[(5-methylol-2-furyl)methylamino]pyrimidin-5-yl]thiocarbamoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C19H26N6O4S MolecularWeight: 434.51254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=S)NC2=CN=CN=C2NCC3=CC=C(O3)CO

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=S)NC2=CN=CN=C2NCC3=CC=C(O3)CO

InChI

InChI=1S/C19H26N6O4S/c1-2-28-19(27)25-7-5-13(6-8-25)23-18(30)24-16-10-20-12-22-17(16)21-9-14-3-4-15(11-26)29-14/h3-4,10,12-13,26H,2,5-9,11H2,1H3,(H,20,21,22)(H2,23,24,30)