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

Systemtic Name: N,N-diethyl-3-(3-fluorophenyl)-2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N,N-diethyl-3-(3-fluorophenyl)-4-oxo-2-(p-tolylmethylsulfanyl)quinazoline-7-carboxamide CAS Name: N,N-diethyl-3-(3-fluorophenyl)-2-[(4-methylphenyl)methylthio]-4-oxo-7-quinazolinecarboxamide IUPAC Name: N,N-diethyl-3-(3-fluorophenyl)-2-[(4-methylphenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: N,N-diethyl-3-(3-fluorophenyl)-4-keto-2-[(4-methylbenzyl)thio]quinazoline-7-carboxamide Formula: C27H26FN3O2S MolecularWeight: 475.577643

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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=CC=C(C=C3)C)C4=CC(=CC=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C27H26FN3O2S/c1-4-30(5-2)25(32)20-13-14-23-24(15-20)29-27(34-17-19-11-9-18(3)10-12-19)31(26(23)33)22-8-6-7-21(28)16-22/h6-16H,4-5,17H2,1-3H3