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

Systemtic Name: 2-[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(oxolan-2-ylmethyl)quinazolin-4-one Openeye Name: 2-[2-(1-adamantyl)-1-methyl-2-oxo-ethyl]sulfanyl-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4-one CAS Name: 2-[[1-(1-adamantyl)-1-oxopropan-2-yl]thio]-3-(2-oxolanylmethyl)-4-quinazolinone IUPAC Name: 2-[1-(1-adamantyl)-1-oxopropan-2-yl]sulfanyl-3-(oxolan-2-ylmethyl)quinazolin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-1-methyl-ethyl]thio]-3-(tetrahydrofurfuryl)quinazolin-4-one Formula: C26H32N2O3S MolecularWeight: 452.60888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5C(=O)N4CC6CCCO6

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5C(=O)N4CC6CCCO6

InChI

InChI=1S/C26H32N2O3S/c1-16(23(29)26-12-17-9-18(13-26)11-19(10-17)14-26)32-25-27-22-7-3-2-6-21(22)24(30)28(25)15-20-5-4-8-31-20/h2-3,6-7,16-20H,4-5,8-15H2,1H3