N-(1-adamantyl)-2-[3-(5-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-[3-(5-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[3-(5-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[[3-(5-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[3-(5-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[4-keto-3-(5-methyl-2-pyridyl)quinazolin-2-yl]thio]acetamide Formula: C26H28N4O2S MolecularWeight: 460.59112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H28N4O2S/c1-16-6-7-22(27-14-16)30-24(32)20-4-2-3-5-21(20)28-25(30)33-15-23(31)29-26-11-17-8-18(12-26)10-19(9-17)13-26/h2-7,14,17-19H,8-13,15H2,1H3,(H,29,31)