N-[1-(1-adamantyl)ethyl]-2-[4-oxidanylidene-3-(pyridin-4-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-2-[4-oxidanylidene-3-(pyridin-4-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[1-(1-adamantyl)ethyl]-2-[4-oxo-3-(4-pyridylmethyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[1-(1-adamantyl)ethyl]-2-[[4-oxo-3-(pyridin-4-ylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-2-[4-oxo-3-(pyridin-4-ylmethyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-[1-(1-adamantyl)ethyl]-2-[[4-keto-3-(4-pyridylmethyl)quinazolin-2-yl]thio]acetamide Formula: C28H32N4O2S MolecularWeight: 488.64428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=NC5=CC=CC=C5C(=O)N4CC6=CC=NC=C6

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=NC5=CC=CC=C5C(=O)N4CC6=CC=NC=C6

InChI

InChI=1S/C28H32N4O2S/c1-18(28-13-20-10-21(14-28)12-22(11-20)15-28)30-25(33)17-35-27-31-24-5-3-2-4-23(24)26(34)32(27)16-19-6-8-29-9-7-19/h2-9,18,20-22H,10-17H2,1H3,(H,30,33)