N-(1-adamantyl)-2-[2-(4-fluorophenyl)-7-methyl-quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-[2-(4-fluorophenyl)-7-methyl-quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[2-(4-fluorophenyl)-7-methyl-quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[[2-(4-fluorophenyl)-7-methyl-4-quinazolinyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[2-(4-fluorophenyl)-7-methylquinazolin-4-yl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[2-(4-fluorophenyl)-7-methyl-quinazolin-4-yl]thio]acetamide Formula: C27H28FN3OS MolecularWeight: 461.594123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NC(=N2)C3=CC=C(C=C3)F)SCC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC(=N2)C3=CC=C(C=C3)F)SCC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H28FN3OS/c1-16-2-7-22-23(8-16)29-25(20-3-5-21(28)6-4-20)30-26(22)33-15-24(32)31-27-12-17-9-18(13-27)11-19(10-17)14-27/h2-8,17-19H,9-15H2,1H3,(H,31,32)