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

Systemtic Name: 2-methyl-N-(5-oxidanyl-2-adamantyl)-4-propylsulfanyl-pyrimidine-5-carboxamide Openeye Name: N-(5-hydroxy-2-adamantyl)-2-methyl-4-propylsulfanyl-pyrimidine-5-carboxamide CAS Name: N-(5-hydroxy-2-adamantyl)-2-methyl-4-(propylthio)-5-pyrimidinecarboxamide IUPAC Name: N-(5-hydroxy-2-adamantyl)-2-methyl-4-propylsulfanylpyrimidine-5-carboxamide Traditional Name: N-(5-hydroxy-2-adamantyl)-2-methyl-4-(propylthio)pyrimidine-5-carboxamide Formula: C19H27N3O2S MolecularWeight: 361.50158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O2S/c1-3-4-25-18-15(10-20-11(2)21-18)17(23)22-16-13-5-12-6-14(16)9-19(24,7-12)8-13/h10,12-14,16,24H,3-9H2,1-2H3,(H,22,23)