2-[2-(1-adamantyl)quinazolin-4-yl]sulfanylethanoic acid

Systemtic Name: 2-[2-(1-adamantyl)quinazolin-4-yl]sulfanylethanoic acid Openeye Name: 2-[2-(1-adamantyl)quinazolin-4-yl]sulfanylacetic acid CAS Name: 2-[[2-(1-adamantyl)-4-quinazolinyl]thio]acetic acid IUPAC Name: 2-[2-(1-adamantyl)quinazolin-4-yl]sulfanylacetic acid Traditional Name: 2-[[2-(1-adamantyl)quinazolin-4-yl]thio]acetic acid Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC5=CC=CC=C5C(=N4)SCC(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC5=CC=CC=C5C(=N4)SCC(=O)O

InChI

InChI=1S/C20H22N2O2S/c23-17(24)11-25-18-15-3-1-2-4-16(15)21-19(22-18)20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,12-14H,5-11H2,(H,23,24)