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

Systemtic Name: 2-[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-cyclopentyl-quinazolin-4-one Openeye Name: 2-[2-(1-adamantyl)-1-methyl-2-oxo-ethyl]sulfanyl-3-cyclopentyl-quinazolin-4-one CAS Name: 2-[[1-(1-adamantyl)-1-oxopropan-2-yl]thio]-3-cyclopentyl-4-quinazolinone IUPAC Name: 2-[1-(1-adamantyl)-1-oxopropan-2-yl]sulfanyl-3-cyclopentylquinazolin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-1-methyl-ethyl]thio]-3-cyclopentyl-quinazolin-4-one Formula: C26H32N2O2S MolecularWeight: 436.60948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5C(=O)N4C6CCCC6

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5C(=O)N4C6CCCC6

InChI

InChI=1S/C26H32N2O2S/c1-16(23(29)26-13-17-10-18(14-26)12-19(11-17)15-26)31-25-27-22-9-5-4-8-21(22)24(30)28(25)20-6-2-3-7-20/h4-5,8-9,16-20H,2-3,6-7,10-15H2,1H3