2-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one

Systemtic Name: 2-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one Openeye Name: 2-[2-(4-tert-butylphenyl)-2-oxo-ethyl]sulfanyl-3-(3-morpholinopropyl)quinazolin-4-one CAS Name: 2-[[2-(4-tert-butylphenyl)-2-oxoethyl]thio]-3-[3-(4-morpholinyl)propyl]-4-quinazolinone IUPAC Name: 2-[2-(4-tert-butylphenyl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one Traditional Name: 2-[[2-(4-tert-butylphenyl)-2-keto-ethyl]thio]-3-(3-morpholinopropyl)quinazolin-4-one Formula: C27H33N3O3S MolecularWeight: 479.63422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCN4CCOCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCN4CCOCC4

InChI

InChI=1S/C27H33N3O3S/c1-27(2,3)21-11-9-20(10-12-21)24(31)19-34-26-28-23-8-5-4-7-22(23)25(32)30(26)14-6-13-29-15-17-33-18-16-29/h4-5,7-12H,6,13-19H2,1-3H3