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

Systemtic Name: N-(1-adamantyl)-2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[4-oxo-3-(3-pyridylmethyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[[4-oxo-3-(3-pyridinylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[4-keto-3-(3-pyridylmethyl)quinazolin-2-yl]thio]acetamide Formula: C26H28N4O2S MolecularWeight: 460.59112

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NC5=CC=CC=C5C(=O)N4CC6=CN=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NC5=CC=CC=C5C(=O)N4CC6=CN=CC=C6

InChI

InChI=1S/C26H28N4O2S/c31-23(29-26-11-18-8-19(12-26)10-20(9-18)13-26)16-33-25-28-22-6-2-1-5-21(22)24(32)30(25)15-17-4-3-7-27-14-17/h1-7,14,18-20H,8-13,15-16H2,(H,29,31)