2-[4-chloranyl-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl]sulfanyl-N-(4-oxidanylbutyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl]sulfanyl-N-(4-oxidanylbutyl)ethanamide Openeye Name: 2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanyl-N-(4-hydroxybutyl)acetamide CAS Name: 2-[[4-chloro-6-(2,3-dimethylanilino)-2-pyrimidinyl]thio]-N-(4-hydroxybutyl)acetamide IUPAC Name: 2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanyl-N-(4-hydroxybutyl)acetamide Traditional Name: 2-[[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]thio]-N-(4-hydroxybutyl)acetamide Formula: C18H23ClN4O2S MolecularWeight: 394.91882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)SCC(=O)NCCCCO)Cl)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)SCC(=O)NCCCCO)Cl)C

InChI

InChI=1S/C18H23ClN4O2S/c1-12-6-5-7-14(13(12)2)21-16-10-15(19)22-18(23-16)26-11-17(25)20-8-3-4-9-24/h5-7,10,24H,3-4,8-9,11H2,1-2H3,(H,20,25)(H,21,22,23)