5-chloranyl-N-[4-(cyclopropylcarbonylamino)phenyl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[4-(cyclopropylcarbonylamino)phenyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[4-[[cyclopropyl(oxo)methyl]amino]phenyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[4-(cyclopropanecarbonylamino)phenyl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C16H15ClN4O2S MolecularWeight: 362.8339

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)NC(=O)C3CC3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)NC(=O)C3CC3)Cl

InChI

InChI=1S/C16H15ClN4O2S/c1-24-16-18-8-12(17)13(21-16)15(23)20-11-6-4-10(5-7-11)19-14(22)9-2-3-9/h4-9H,2-3H2,1H3,(H,19,22)(H,20,23)