4-[2-[(3-chlorophenyl)amino]pyrimidin-4-yl]-N,N-diethyl-pyridine-2-carbothioamide

Systemtic Name: 4-[2-[(3-chlorophenyl)amino]pyrimidin-4-yl]-N,N-diethyl-pyridine-2-carbothioamide Openeye Name: 4-[2-(3-chloroanilino)pyrimidin-4-yl]-N,N-diethyl-pyridine-2-carbothioamide CAS Name: 4-[2-(3-chloroanilino)-4-pyrimidinyl]-N,N-diethyl-2-pyridinecarbothioamide IUPAC Name: 4-[2-(3-chloroanilino)pyrimidin-4-yl]-N,N-diethylpyridine-2-carbothioamide Traditional Name: 4-[2-(3-chloroanilino)pyrimidin-4-yl]-N,N-diethyl-thiopicolinamide Formula: C20H20ClN5S MolecularWeight: 397.9243

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)C1=NC=CC(=C1)C2=NC(=NC=C2)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CCN(CC)C(=S)C1=NC=CC(=C1)C2=NC(=NC=C2)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H20ClN5S/c1-3-26(4-2)19(27)18-12-14(8-10-22-18)17-9-11-23-20(25-17)24-16-7-5-6-15(21)13-16/h5-13H,3-4H2,1-2H3,(H,23,24,25)