ethyl 4-[[(6-azanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-[(4-fluorophenyl)methyl]carbamothioyl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[(6-azanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-[(4-fluorophenyl)methyl]carbamothioyl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[(6-amino-4-oxo-1H-pyrimidin-5-yl)-[(4-fluorophenyl)methyl]carbamothioyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[(6-amino-4-oxo-1H-pyrimidin-5-yl)-[(4-fluorophenyl)methyl]amino]-sulfanylidenemethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(6-amino-4-oxo-1H-pyrimidin-5-yl)-[(4-fluorophenyl)methyl]carbamothioyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[(6-amino-4-keto-1H-pyrimidin-5-yl)-(4-fluorobenzyl)thiocarbamoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C20H25FN6O3S MolecularWeight: 448.514303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=S)N(CC2=CC=C(C=C2)F)C3=C(NC=NC3=O)N

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=S)N(CC2=CC=C(C=C2)F)C3=C(NC=NC3=O)N

InChI

InChI=1S/C20H25FN6O3S/c1-2-30-20(29)26-9-7-15(8-10-26)25-19(31)27(11-13-3-5-14(21)6-4-13)16-17(22)23-12-24-18(16)28/h3-6,12,15H,2,7-11H2,1H3,(H,25,31)(H3,22,23,24,28)