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

Systemtic Name: 2-[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-cyclopropyl-quinazolin-4-one Openeye Name: 2-[2-(1-adamantyl)-1-methyl-2-oxo-ethyl]sulfanyl-3-cyclopropyl-quinazolin-4-one CAS Name: 2-[[1-(1-adamantyl)-1-oxopropan-2-yl]thio]-3-cyclopropyl-4-quinazolinone IUPAC Name: 2-[1-(1-adamantyl)-1-oxopropan-2-yl]sulfanyl-3-cyclopropylquinazolin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-1-methyl-ethyl]thio]-3-cyclopropyl-quinazolin-4-one Formula: C24H28N2O2S MolecularWeight: 408.55632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5C(=O)N4C6CC6

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5C(=O)N4C6CC6

InChI

InChI=1S/C24H28N2O2S/c1-14(21(27)24-11-15-8-16(12-24)10-17(9-15)13-24)29-23-25-20-5-3-2-4-19(20)22(28)26(23)18-6-7-18/h2-5,14-18H,6-13H2,1H3