2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(3-fluorophenyl)-4-oxidanylidene-N-propyl-quinazoline-7-carboxamide

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(3-fluorophenyl)-4-oxidanylidene-N-propyl-quinazoline-7-carboxamide Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(3-fluorophenyl)-4-oxo-N-propyl-quinazoline-7-carboxamide CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-3-(3-fluorophenyl)-4-oxo-N-propyl-7-quinazolinecarboxamide IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(3-fluorophenyl)-4-oxo-N-propylquinazoline-7-carboxamide Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-3-(3-fluorophenyl)-4-keto-N-propyl-quinazoline-7-carboxamide Formula: C27H26FN3O2S MolecularWeight: 475.577643

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=C(C=CC(=C3)C)C)C4=CC(=CC=C4)F

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=C(C=CC(=C3)C)C)C4=CC(=CC=C4)F

InChI

InChI=1S/C27H26FN3O2S/c1-4-12-29-25(32)19-10-11-23-24(14-19)30-27(34-16-20-13-17(2)8-9-18(20)3)31(26(23)33)22-7-5-6-21(28)15-22/h5-11,13-15H,4,12,16H2,1-3H3,(H,29,32)