2-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one

Systemtic Name: 2-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one Openeye Name: 2-[2-(2,5-dimethylphenyl)-2-oxo-ethyl]sulfanyl-3-(3-morpholinopropyl)quinazolin-4-one CAS Name: 2-[[2-(2,5-dimethylphenyl)-2-oxoethyl]thio]-3-[3-(4-morpholinyl)propyl]-4-quinazolinone IUPAC Name: 2-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one Traditional Name: 2-[[2-(2,5-dimethylphenyl)-2-keto-ethyl]thio]-3-(3-morpholinopropyl)quinazolin-4-one Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCN4CCOCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCN4CCOCC4

InChI

InChI=1S/C25H29N3O3S/c1-18-8-9-19(2)21(16-18)23(29)17-32-25-26-22-7-4-3-6-20(22)24(30)28(25)11-5-10-27-12-14-31-15-13-27/h3-4,6-9,16H,5,10-15,17H2,1-2H3