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

Systemtic Name: 2-[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 2-[2-(1-adamantyl)-1-methyl-2-oxo-ethyl]sulfanyl-3-(3-hydroxypropyl)quinazolin-4-one CAS Name: 2-[[1-(1-adamantyl)-1-oxopropan-2-yl]thio]-3-(3-hydroxypropyl)-4-quinazolinone IUPAC Name: 2-[1-(1-adamantyl)-1-oxopropan-2-yl]sulfanyl-3-(3-hydroxypropyl)quinazolin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-1-methyl-ethyl]thio]-3-(3-hydroxypropyl)quinazolin-4-one Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5C(=O)N4CCCO

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5C(=O)N4CCCO

InChI

InChI=1S/C24H30N2O3S/c1-15(21(28)24-12-16-9-17(13-24)11-18(10-16)14-24)30-23-25-20-6-3-2-5-19(20)22(29)26(23)7-4-8-27/h2-3,5-6,15-18,27H,4,7-14H2,1H3