5-chloranyl-N-(2,6-dimethylphenyl)-2-prop-2-enylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(2,6-dimethylphenyl)-2-prop-2-enylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 2-allylsulfanyl-5-chloro-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(2,6-dimethylphenyl)-2-(prop-2-enylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(2,6-dimethylphenyl)-2-prop-2-enylsulfanylpyrimidine-4-carboxamide Traditional Name: 2-(allylthio)-5-chloro-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide Formula: C16H16ClN3OS MolecularWeight: 333.83574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2=NC(=NC=C2Cl)SCC=C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=NC(=NC=C2Cl)SCC=C

InChI

InChI=1S/C16H16ClN3OS/c1-4-8-22-16-18-9-12(17)14(20-16)15(21)19-13-10(2)6-5-7-11(13)3/h4-7,9H,1,8H2,2-3H3,(H,19,21)