3-(4-fluorophenyl)-2-[(4-methylphenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 3-(4-fluorophenyl)-2-[(4-methylphenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 3-(4-fluorophenyl)-N-(3-morpholinopropyl)-4-oxo-2-(p-tolylmethylsulfanyl)quinazoline-7-carboxamide CAS Name: 3-(4-fluorophenyl)-2-[(4-methylphenyl)methylthio]-N-[3-(4-morpholinyl)propyl]-4-oxo-7-quinazolinecarboxamide IUPAC Name: 3-(4-fluorophenyl)-2-[(4-methylphenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 3-(4-fluorophenyl)-4-keto-2-[(4-methylbenzyl)thio]-N-(3-morpholinopropyl)quinazoline-7-carboxamide Formula: C30H31FN4O3S MolecularWeight: 546.655543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)NCCCN4CCOCC4)C(=O)N2C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)NCCCN4CCOCC4)C(=O)N2C5=CC=C(C=C5)F

InChI

InChI=1S/C30H31FN4O3S/c1-21-3-5-22(6-4-21)20-39-30-33-27-19-23(28(36)32-13-2-14-34-15-17-38-18-16-34)7-12-26(27)29(37)35(30)25-10-8-24(31)9-11-25/h3-12,19H,2,13-18,20H2,1H3,(H,32,36)