N-(1,3-benzodioxol-5-ylmethyl)-5-chloranyl-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloranyl-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-2-[(4-fluorophenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-[(4-fluorobenzyl)thio]-N-piperonyl-pyrimidine-4-carboxamide Formula: C20H15ClFN3O3S MolecularWeight: 431.867803

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NC(=NC=C3Cl)SCC4=CC=C(C=C4)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NC(=NC=C3Cl)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C20H15ClFN3O3S/c21-15-9-24-20(29-10-12-1-4-14(22)5-2-12)25-18(15)19(26)23-8-13-3-6-16-17(7-13)28-11-27-16/h1-7,9H,8,10-11H2,(H,23,26)