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

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-N,N-diethyl-3-(3-fluorophenyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-N,N-diethyl-3-(3-fluorophenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-N,N-diethyl-3-(3-fluorophenyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-N,N-diethyl-3-(3-fluorophenyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-N,N-diethyl-3-(3-fluorophenyl)-4-keto-quinazoline-7-carboxamide Formula: C28H28FN3O2S MolecularWeight: 489.604223

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=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

CCN(CC)C(=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/C28H28FN3O2S/c1-5-31(6-2)26(33)20-12-13-24-25(15-20)30-28(35-17-21-14-18(3)10-11-19(21)4)32(27(24)34)23-9-7-8-22(29)16-23/h7-16H,5-6,17H2,1-4H3