2-[(3-chlorophenyl)methylsulfanyl]-3-cyclohexyl-7-morpholin-4-ylcarbonyl-quinazolin-4-one

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-cyclohexyl-7-morpholin-4-ylcarbonyl-quinazolin-4-one Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-cyclohexyl-7-(morpholine-4-carbonyl)quinazolin-4-one CAS Name: 2-[(3-chlorophenyl)methylthio]-3-cyclohexyl-7-[4-morpholinyl(oxo)methyl]-4-quinazolinone IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-cyclohexyl-7-(morpholine-4-carbonyl)quinazolin-4-one Traditional Name: 2-[(3-chlorobenzyl)thio]-3-cyclohexyl-7-(morpholine-4-carbonyl)quinazolin-4-one Formula: C26H28ClN3O3S MolecularWeight: 498.03682

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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(=CC=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H28ClN3O3S/c27-20-6-4-5-18(15-20)17-34-26-28-23-16-19(24(31)29-11-13-33-14-12-29)9-10-22(23)25(32)30(26)21-7-2-1-3-8-21/h4-6,9-10,15-16,21H,1-3,7-8,11-14,17H2