2-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-3-(oxolan-2-ylmethyl)quinazolin-4-one

Systemtic Name: 2-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-3-(oxolan-2-ylmethyl)quinazolin-4-one Openeye Name: 2-[(3-acetyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4-one CAS Name: 2-[(3-acetyl-2,4,6-trimethylphenyl)methylthio]-3-(2-oxolanylmethyl)-4-quinazolinone IUPAC Name: 2-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-3-(oxolan-2-ylmethyl)quinazolin-4-one Traditional Name: 2-[(3-acetyl-2,4,6-trimethyl-benzyl)thio]-3-(tetrahydrofurfuryl)quinazolin-4-one Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4)C

InChI

InChI=1S/C25H28N2O3S/c1-15-12-16(2)23(18(4)28)17(3)21(15)14-31-25-26-22-10-6-5-9-20(22)24(29)27(25)13-19-8-7-11-30-19/h5-6,9-10,12,19H,7-8,11,13-14H2,1-4H3