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

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-7-chloranyl-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-7-chloro-3-isobutyl-quinazolin-4-one CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-7-chloro-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-7-chloro-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-7-chloro-3-isobutyl-quinazolin-4-one Formula: C24H29ClN2O2S MolecularWeight: 445.01726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H29ClN2O2S/c1-14(2)12-27-22(29)19-4-3-18(25)8-20(19)26-23(27)30-13-21(28)24-9-15-5-16(10-24)7-17(6-15)11-24/h3-4,8,14-17H,5-7,9-13H2,1-2H3