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

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-7-chloranyl-3-(2-methoxyethyl)quinazolin-4-one Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-7-chloro-3-(2-methoxyethyl)quinazolin-4-one CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-7-chloro-3-(2-methoxyethyl)-4-quinazolinone IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-7-chloro-3-(2-methoxyethyl)quinazolin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-7-chloro-3-(2-methoxyethyl)quinazolin-4-one Formula: C23H27ClN2O3S MolecularWeight: 446.99008

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H27ClN2O3S/c1-29-5-4-26-21(28)18-3-2-17(24)9-19(18)25-22(26)30-13-20(27)23-10-14-6-15(11-23)8-16(7-14)12-23/h2-3,9,14-16H,4-8,10-13H2,1H3