N-(5-oxidanyl-2-adamantyl)-2,4-bis(propylsulfanyl)pyrimidine-5-carboxamide

Systemtic Name: N-(5-oxidanyl-2-adamantyl)-2,4-bis(propylsulfanyl)pyrimidine-5-carboxamide Openeye Name: N-(5-hydroxy-2-adamantyl)-2,4-bis(propylsulfanyl)pyrimidine-5-carboxamide CAS Name: N-(5-hydroxy-2-adamantyl)-2,4-bis(propylthio)-5-pyrimidinecarboxamide IUPAC Name: N-(5-hydroxy-2-adamantyl)-2,4-bis(propylsulfanyl)pyrimidine-5-carboxamide Traditional Name: N-(5-hydroxy-2-adamantyl)-2,4-bis(propylthio)pyrimidine-5-carboxamide Formula: C21H31N3O2S2 MolecularWeight: 421.61974

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=NC=C1C(=O)NC2C3CC4CC2CC(C4)(C3)O)SCCC

Isomeric SMILES

CCCSC1=NC(=NC=C1C(=O)NC2C3CC4CC2CC(C4)(C3)O)SCCC

InChI

InChI=1S/C21H31N3O2S2/c1-3-5-27-19-16(12-22-20(24-19)28-6-4-2)18(25)23-17-14-7-13-8-15(17)11-21(26,9-13)10-14/h12-15,17,26H,3-11H2,1-2H3,(H,23,25)