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

Systemtic Name: 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 3-(4-fluorophenyl)-N-(2-furylmethyl)-4-oxo-2-(p-tolylmethylsulfanyl)quinazoline-7-carboxamide CAS Name: 3-(4-fluorophenyl)-N-(2-furanylmethyl)-2-[(4-methylphenyl)methylthio]-4-oxo-7-quinazolinecarboxamide IUPAC Name: 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: 3-(4-fluorophenyl)-N-(2-furfuryl)-4-keto-2-[(4-methylbenzyl)thio]quinazoline-7-carboxamide Formula: C28H22FN3O3S MolecularWeight: 499.555983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)NCC4=CC=CO4)C(=O)N2C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)NCC4=CC=CO4)C(=O)N2C5=CC=C(C=C5)F

InChI

InChI=1S/C28H22FN3O3S/c1-18-4-6-19(7-5-18)17-36-28-31-25-15-20(26(33)30-16-23-3-2-14-35-23)8-13-24(25)27(34)32(28)22-11-9-21(29)10-12-22/h2-15H,16-17H2,1H3,(H,30,33)