methyl 2-[2-(1-adamantyl)quinazolin-4-yl]sulfanylethanoate

Systemtic Name: methyl 2-[2-(1-adamantyl)quinazolin-4-yl]sulfanylethanoate Openeye Name: methyl 2-[2-(1-adamantyl)quinazolin-4-yl]sulfanylacetate CAS Name: 2-[[2-(1-adamantyl)-4-quinazolinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1-adamantyl)quinazolin-4-yl]sulfanylacetate Traditional Name: 2-[[2-(1-adamantyl)quinazolin-4-yl]thio]acetic acid methyl ester Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC(=NC2=CC=CC=C21)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)CSC1=NC(=NC2=CC=CC=C21)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H24N2O2S/c1-25-18(24)12-26-19-16-4-2-3-5-17(16)22-20(23-19)21-9-13-6-14(10-21)8-15(7-13)11-21/h2-5,13-15H,6-12H2,1H3