2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-methylpyridin-2-yl)quinazolin-4-one

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-methylpyridin-2-yl)quinazolin-4-one Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-3-(4-methyl-2-pyridyl)quinazolin-4-one CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-3-(4-methyl-2-pyridinyl)-4-quinazolinone IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-3-(4-methylpyridin-2-yl)quinazolin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-3-(4-methyl-2-pyridyl)quinazolin-4-one Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H27N3O2S/c1-16-6-7-27-23(8-16)29-24(31)20-4-2-3-5-21(20)28-25(29)32-15-22(30)26-12-17-9-18(13-26)11-19(10-17)14-26/h2-8,17-19H,9-15H2,1H3