2-[(4-tert-butylphenyl)methylsulfanyl]-6-morpholin-4-yl-3-phenethyl-quinazolin-4-one

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-6-morpholin-4-yl-3-phenethyl-quinazolin-4-one Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-6-morpholino-3-phenethyl-quinazolin-4-one CAS Name: 2-[(4-tert-butylphenyl)methylthio]-6-(4-morpholinyl)-3-phenethyl-4-quinazolinone IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-6-morpholin-4-yl-3-phenethylquinazolin-4-one Traditional Name: 2-[(4-tert-butylbenzyl)thio]-6-morpholino-3-phenethyl-quinazolin-4-one Formula: C31H35N3O2S MolecularWeight: 513.6935

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CCC5=CC=CC=C5

InChI

InChI=1S/C31H35N3O2S/c1-31(2,3)25-11-9-24(10-12-25)22-37-30-32-28-14-13-26(33-17-19-36-20-18-33)21-27(28)29(35)34(30)16-15-23-7-5-4-6-8-23/h4-14,21H,15-20,22H2,1-3H3