2-morpholin-4-yl-N-(5-oxidanyl-2-adamantyl)-4-propylsulfanyl-pyrimidine-5-carboxamide

Systemtic Name: 2-morpholin-4-yl-N-(5-oxidanyl-2-adamantyl)-4-propylsulfanyl-pyrimidine-5-carboxamide Openeye Name: N-(5-hydroxy-2-adamantyl)-2-morpholino-4-propylsulfanyl-pyrimidine-5-carboxamide CAS Name: N-(5-hydroxy-2-adamantyl)-2-(4-morpholinyl)-4-(propylthio)-5-pyrimidinecarboxamide IUPAC Name: N-(5-hydroxy-2-adamantyl)-2-morpholin-4-yl-4-propylsulfanylpyrimidine-5-carboxamide Traditional Name: N-(5-hydroxy-2-adamantyl)-2-morpholino-4-(propylthio)pyrimidine-5-carboxamide Formula: C22H32N4O3S MolecularWeight: 432.57948

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=NC=C1C(=O)NC2C3CC4CC2CC(C4)(C3)O)N5CCOCC5

Isomeric SMILES

CCCSC1=NC(=NC=C1C(=O)NC2C3CC4CC2CC(C4)(C3)O)N5CCOCC5

InChI

InChI=1S/C22H32N4O3S/c1-2-7-30-20-17(13-23-21(25-20)26-3-5-29-6-4-26)19(27)24-18-15-8-14-9-16(18)12-22(28,10-14)11-15/h13-16,18,28H,2-12H2,1H3,(H,24,27)