2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-methoxyphenyl)quinazolin-4-one

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-methoxyphenyl)quinazolin-4-one Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-3-(2-methoxyphenyl)quinazolin-4-one CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-3-(2-methoxyphenyl)-4-quinazolinone IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-3-(2-methoxyphenyl)quinazolin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-3-(2-methoxyphenyl)quinazolin-4-one Formula: C27H28N2O3S MolecularWeight: 460.58782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H28N2O3S/c1-32-23-9-5-4-8-22(23)29-25(31)20-6-2-3-7-21(20)28-26(29)33-16-24(30)27-13-17-10-18(14-27)12-19(11-17)15-27/h2-9,17-19H,10-16H2,1H3