methyl 4-[[4-[(4-fluorophenyl)methylamino]pyrimidin-5-yl]carbamothioylamino]-3-methyl-piperidine-1-carboxylate

Systemtic Name: methyl 4-[[4-[(4-fluorophenyl)methylamino]pyrimidin-5-yl]carbamothioylamino]-3-methyl-piperidine-1-carboxylate Openeye Name: methyl 4-[[4-[(4-fluorophenyl)methylamino]pyrimidin-5-yl]carbamothioylamino]-3-methyl-piperidine-1-carboxylate CAS Name: 4-[[[[4-[(4-fluorophenyl)methylamino]-5-pyrimidinyl]amino]-sulfanylidenemethyl]amino]-3-methyl-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-[(4-fluorophenyl)methylamino]pyrimidin-5-yl]carbamothioylamino]-3-methylpiperidine-1-carboxylate Traditional Name: 4-[[4-[(4-fluorobenzyl)amino]pyrimidin-5-yl]thiocarbamoylamino]-3-methyl-piperidine-1-carboxylic acid methyl ester Formula: C20H25FN6O2S MolecularWeight: 432.514903

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1NC(=S)NC2=CN=CN=C2NCC3=CC=C(C=C3)F)C(=O)OC

Isomeric SMILES

CC1CN(CCC1NC(=S)NC2=CN=CN=C2NCC3=CC=C(C=C3)F)C(=O)OC

InChI

InChI=1S/C20H25FN6O2S/c1-13-11-27(20(28)29-2)8-7-16(13)25-19(30)26-17-10-22-12-24-18(17)23-9-14-3-5-15(21)6-4-14/h3-6,10,12-13,16H,7-9,11H2,1-2H3,(H,22,23,24)(H2,25,26,30)