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

Systemtic Name: 5-chloranyl-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[4-(2-furylmethylcarbamoylamino)phenyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[4-[[(2-furanylmethylamino)-oxomethyl]amino]phenyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[4-(2-furfurylcarbamoylamino)phenyl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C18H16ClN5O3S MolecularWeight: 417.86934

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)NC(=O)NCC3=CC=CO3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)NC(=O)NCC3=CC=CO3)Cl

InChI

InChI=1S/C18H16ClN5O3S/c1-28-18-21-10-14(19)15(24-18)16(25)22-11-4-6-12(7-5-11)23-17(26)20-9-13-3-2-8-27-13/h2-8,10H,9H2,1H3,(H,22,25)(H2,20,23,26)