S-methyl 4-[(5-chloranyl-6-ethyl-pyrimidin-4-yl)amino]piperidine-1-carbothioate

Systemtic Name: S-methyl 4-[(5-chloranyl-6-ethyl-pyrimidin-4-yl)amino]piperidine-1-carbothioate Openeye Name: S-methyl 4-[(5-chloro-6-ethyl-pyrimidin-4-yl)amino]piperidine-1-carbothioate CAS Name: 4-[(5-chloro-6-ethyl-4-pyrimidinyl)amino]-1-piperidinecarbothioic acid S-methyl ester IUPAC Name: S-methyl 4-[(5-chloro-6-ethylpyrimidin-4-yl)amino]piperidine-1-carbothioate Traditional Name: 4-[(5-chloro-6-ethyl-pyrimidin-4-yl)amino]piperidine-1-carbothioic acid S-methyl ester Formula: C13H19ClN4OS MolecularWeight: 314.83416

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC=N1)NC2CCN(CC2)C(=O)SC)Cl

Isomeric SMILES

CCC1=C(C(=NC=N1)NC2CCN(CC2)C(=O)SC)Cl

InChI

InChI=1S/C13H19ClN4OS/c1-3-10-11(14)12(16-8-15-10)17-9-4-6-18(7-5-9)13(19)20-2/h8-9H,3-7H2,1-2H3,(H,15,16,17)