2-[3-(2,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-methyl-ethanamide

Systemtic Name: 2-[3-(2,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-methyl-ethanamide Openeye Name: 2-[3-(2,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[(3-fluoro-4-methoxy-phenyl)methyl]-N-methyl-acetamide CAS Name: 2-[[3-(2,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide IUPAC Name: 2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide Traditional Name: 2-[[3-(2,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-(3-fluoro-4-methoxy-benzyl)-N-methyl-acetamide Formula: C27H26FN3O3S MolecularWeight: 491.577043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(C)CC4=CC(=C(C=C4)OC)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(C)CC4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C27H26FN3O3S/c1-17-9-10-18(2)23(13-17)31-26(33)20-7-5-6-8-22(20)29-27(31)35-16-25(32)30(3)15-19-11-12-24(34-4)21(28)14-19/h5-14H,15-16H2,1-4H3