2-[1-[2-(2-cyclohexylthiopyran-1-yl)oxyphenyl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[1-[2-(2-cyclohexylthiopyran-1-yl)oxyphenyl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[1-[2-(2-cyclohexylthiopyran-1-yl)oxyphenyl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[1-[2-[(2-cyclohexyl-1-thiopyranyl)oxy]phenyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[1-[2-(2-cyclohexylthiopyran-1-yl)oxyphenyl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[1-[2-(2-cyclohexylthiopyran-1-yl)oxyphenyl]ethyl]-1H-quinazolin-4-one Formula: C27H28N2O2S MolecularWeight: 444.58842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1OS2=CC=CC=C2C3CCCCC3)C4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

CC(C1=CC=CC=C1OS2=CC=CC=C2C3CCCCC3)C4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C27H28N2O2S/c1-19(26-28-23-15-7-5-14-22(23)27(30)29-26)21-13-6-8-16-24(21)31-32-18-10-9-17-25(32)20-11-3-2-4-12-20/h5-10,13-20H,2-4,11-12H2,1H3,(H,28,29,30)