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

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-cyclopentyl-quinazolin-4-one Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-3-cyclopentyl-quinazolin-4-one CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-3-cyclopentyl-4-quinazolinone IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-3-cyclopentylquinazolin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-3-cyclopentyl-quinazolin-4-one Formula: C25H30N2O2S MolecularWeight: 422.5829

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H30N2O2S/c28-22(25-12-16-9-17(13-25)11-18(10-16)14-25)15-30-24-26-21-8-4-3-7-20(21)23(29)27(24)19-5-1-2-6-19/h3-4,7-8,16-19H,1-2,5-6,9-15H2