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

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-3-(3-morpholinopropyl)quinazolin-4-one CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-3-[3-(4-morpholinyl)propyl]-4-quinazolinone IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-3-(3-morpholinopropyl)quinazolin-4-one Formula: C27H35N3O3S MolecularWeight: 481.6501

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1COCCN1CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H35N3O3S/c31-24(27-15-19-12-20(16-27)14-21(13-19)17-27)18-34-26-28-23-5-2-1-4-22(23)25(32)30(26)7-3-6-29-8-10-33-11-9-29/h1-2,4-5,19-21H,3,6-18H2