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

Systemtic Name: 2-[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl]sulfanyl-7-chloranyl-3-(2-methoxyethyl)quinazolin-4-one Openeye Name: 2-[2-(1-adamantyl)-1-methyl-2-oxo-ethyl]sulfanyl-7-chloro-3-(2-methoxyethyl)quinazolin-4-one CAS Name: 2-[[1-(1-adamantyl)-1-oxopropan-2-yl]thio]-7-chloro-3-(2-methoxyethyl)-4-quinazolinone IUPAC Name: 2-[1-(1-adamantyl)-1-oxopropan-2-yl]sulfanyl-7-chloro-3-(2-methoxyethyl)quinazolin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-1-methyl-ethyl]thio]-7-chloro-3-(2-methoxyethyl)quinazolin-4-one Formula: C24H29ClN2O3S MolecularWeight: 461.01666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NC5=C(C=CC(=C5)Cl)C(=O)N4CCOC

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NC5=C(C=CC(=C5)Cl)C(=O)N4CCOC

InChI

InChI=1S/C24H29ClN2O3S/c1-14(21(28)24-11-15-7-16(12-24)9-17(8-15)13-24)31-23-26-20-10-18(25)3-4-19(20)22(29)27(23)5-6-30-2/h3-4,10,14-17H,5-9,11-13H2,1-2H3