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

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-hexyl-quinazolin-4-one Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-3-hexyl-quinazolin-4-one CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-3-hexyl-4-quinazolinone IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-3-hexylquinazolin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-3-hexyl-quinazolin-4-one Formula: C26H34N2O2S MolecularWeight: 438.62536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H34N2O2S/c1-2-3-4-7-10-28-24(30)21-8-5-6-9-22(21)27-25(28)31-17-23(29)26-14-18-11-19(15-26)13-20(12-18)16-26/h5-6,8-9,18-20H,2-4,7,10-17H2,1H3