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

Systemtic Name: O-phenyl 4-[(5-chloranyl-6-ethyl-pyrimidin-4-yl)amino]piperidine-1-carbothioate Openeye Name: O-phenyl 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 O-phenyl ester IUPAC Name: O-phenyl 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 O-phenyl ester Formula: C18H21ClN4OS MolecularWeight: 376.90354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC=N1)NC2CCN(CC2)C(=S)OC3=CC=CC=C3)Cl

Isomeric SMILES

CCC1=C(C(=NC=N1)NC2CCN(CC2)C(=S)OC3=CC=CC=C3)Cl

InChI

InChI=1S/C18H21ClN4OS/c1-2-15-16(19)17(21-12-20-15)22-13-8-10-23(11-9-13)18(25)24-14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3,(H,20,21,22)