2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-7-chloranyl-3-(3-methylbutyl)quinazolin-4-one

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-7-chloranyl-3-(3-methylbutyl)quinazolin-4-one Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-7-chloro-3-isopentyl-quinazolin-4-one CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-7-chloro-3-(3-methylbutyl)-4-quinazolinone IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-7-chloro-3-(3-methylbutyl)quinazolin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-7-chloro-3-isoamyl-quinazolin-4-one Formula: C25H31ClN2O2S MolecularWeight: 459.04384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H31ClN2O2S/c1-15(2)5-6-28-23(30)20-4-3-19(26)10-21(20)27-24(28)31-14-22(29)25-11-16-7-17(12-25)9-18(8-16)13-25/h3-4,10,15-18H,5-9,11-14H2,1-2H3