5-chloranyl-N-[[3-(cyclobutylcarbonylamino)phenyl]methyl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[[3-(cyclobutylcarbonylamino)phenyl]methyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[[3-[[cyclobutyl(oxo)methyl]amino]phenyl]methyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[3-(cyclobutanecarbonylamino)benzyl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C18H19ClN4O2S MolecularWeight: 390.88706

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NCC2=CC(=CC=C2)NC(=O)C3CCC3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NCC2=CC(=CC=C2)NC(=O)C3CCC3)Cl

InChI

InChI=1S/C18H19ClN4O2S/c1-26-18-21-10-14(19)15(23-18)17(25)20-9-11-4-2-7-13(8-11)22-16(24)12-5-3-6-12/h2,4,7-8,10,12H,3,5-6,9H2,1H3,(H,20,25)(H,22,24)