N-(1-adamantylcarbamoyl)-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-(2-pyrimidylthio)acetamide Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CSC4=NC=CC=N4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)CSC4=NC=CC=N4

InChI

InChI=1S/C17H22N4O2S/c22-14(10-24-16-18-2-1-3-19-16)20-15(23)21-17-7-11-4-12(8-17)6-13(5-11)9-17/h1-3,11-13H,4-10H2,(H2,20,21,22,23)