3-cyclohexyl-7-morpholin-4-ylcarbonyl-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-cyclohexyl-7-morpholin-4-ylcarbonyl-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-one Openeye Name: 3-cyclohexyl-7-(morpholine-4-carbonyl)-2-(4-pyridylmethylsulfanyl)quinazolin-4-one CAS Name: 3-cyclohexyl-7-[4-morpholinyl(oxo)methyl]-2-(pyridin-4-ylmethylthio)-4-quinazolinone IUPAC Name: 3-cyclohexyl-7-(morpholine-4-carbonyl)-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-one Traditional Name: 3-cyclohexyl-7-(morpholine-4-carbonyl)-2-(4-pyridylmethylthio)quinazolin-4-one Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCOCC4)N=C2SCC5=CC=NC=C5

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCOCC4)N=C2SCC5=CC=NC=C5

InChI

InChI=1S/C25H28N4O3S/c30-23(28-12-14-32-15-13-28)19-6-7-21-22(16-19)27-25(33-17-18-8-10-26-11-9-18)29(24(21)31)20-4-2-1-3-5-20/h6-11,16,20H,1-5,12-15,17H2