N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-(1-adamantyl)-N-m-anisyl-2-(2-pyrimidylthio)acetamide Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN(C(=O)CSC2=NC=CC=N2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=CC(=C1)CN(C(=O)CSC2=NC=CC=N2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H29N3O2S/c1-29-21-5-2-4-17(11-21)15-27(22(28)16-30-23-25-6-3-7-26-23)24-12-18-8-19(13-24)10-20(9-18)14-24/h2-7,11,18-20H,8-10,12-16H2,1H3