5-chloranyl-2-methylsulfanyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[[4-(isopropylcarbamoylamino)phenyl]methyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(methylthio)-N-[[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]methyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-methylsulfanyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[4-(isopropylcarbamoylamino)benzyl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C17H20ClN5O2S MolecularWeight: 393.891

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CC=C(C=C1)CNC(=O)C2=NC(=NC=C2Cl)SC

Isomeric SMILES

CC(C)NC(=O)NC1=CC=C(C=C1)CNC(=O)C2=NC(=NC=C2Cl)SC

InChI

InChI=1S/C17H20ClN5O2S/c1-10(2)21-16(25)22-12-6-4-11(5-7-12)8-19-15(24)14-13(18)9-20-17(23-14)26-3/h4-7,9-10H,8H2,1-3H3,(H,19,24)(H2,21,22,25)