4,6-bis(phenylmethylsulfanyl)-2-pyrrolidin-1-yl-pyrimidine-5-carboxamide

Systemtic Name: 4,6-bis(phenylmethylsulfanyl)-2-pyrrolidin-1-yl-pyrimidine-5-carboxamide Openeye Name: 4,6-bis(benzylsulfanyl)-2-pyrrolidin-1-yl-pyrimidine-5-carboxamide CAS Name: 4,6-bis(phenylmethylthio)-2-(1-pyrrolidinyl)-5-pyrimidinecarboxamide IUPAC Name: 4,6-bis(benzylsulfanyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide Traditional Name: 4,6-bis(benzylthio)-2-pyrrolidino-pyrimidine-5-carboxamide Formula: C23H24N4OS2 MolecularWeight: 436.59286

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=C(C(=N2)SCC3=CC=CC=C3)C(=O)N)SCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=NC(=C(C(=N2)SCC3=CC=CC=C3)C(=O)N)SCC4=CC=CC=C4

InChI

InChI=1S/C23H24N4OS2/c24-20(28)19-21(29-15-17-9-3-1-4-10-17)25-23(27-13-7-8-14-27)26-22(19)30-16-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H2,24,28)