5-chloranyl-2-(furan-2-ylmethylamino)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-(furan-2-ylmethylamino)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-(2-furylmethylamino)-N-[2-(3-thienylmethylsulfanyl)ethyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(2-furanylmethylamino)-N-[2-(3-thiophenylmethylthio)ethyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-(furan-2-ylmethylamino)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(2-furfurylamino)-N-[2-(3-thenylthio)ethyl]pyrimidine-4-carboxamide Formula: C17H17ClN4O2S2 MolecularWeight: 408.92548

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=NC=C(C(=N2)C(=O)NCCSCC3=CSC=C3)Cl

Isomeric SMILES

C1=COC(=C1)CNC2=NC=C(C(=N2)C(=O)NCCSCC3=CSC=C3)Cl

InChI

InChI=1S/C17H17ClN4O2S2/c18-14-9-21-17(20-8-13-2-1-5-24-13)22-15(14)16(23)19-4-7-26-11-12-3-6-25-10-12/h1-3,5-6,9-10H,4,7-8,11H2,(H,19,23)(H,20,21,22)