3-(3,4-dimethoxyphenyl)-2-[(3-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 3-(3,4-dimethoxyphenyl)-2-[(3-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 3-(3,4-dimethoxyphenyl)-2-[(3-fluorophenyl)methylsulfanyl]-N-(2-furylmethyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(3,4-dimethoxyphenyl)-2-[(3-fluorophenyl)methylthio]-N-(2-furanylmethyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 3-(3,4-dimethoxyphenyl)-2-[(3-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 3-(3,4-dimethoxyphenyl)-2-[(3-fluorobenzyl)thio]-N-(2-furfuryl)-4-keto-quinazoline-7-carboxamide Formula: C29H24FN3O5S MolecularWeight: 545.581363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CO4)N=C2SCC5=CC(=CC=C5)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CO4)N=C2SCC5=CC(=CC=C5)F)OC

InChI

InChI=1S/C29H24FN3O5S/c1-36-25-11-9-21(15-26(25)37-2)33-28(35)23-10-8-19(27(34)31-16-22-7-4-12-38-22)14-24(23)32-29(33)39-17-18-5-3-6-20(30)13-18/h3-15H,16-17H2,1-2H3,(H,31,34)