2-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-3-(oxolan-2-ylmethyl)quinazolin-4-one

Systemtic Name: 2-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-3-(oxolan-2-ylmethyl)quinazolin-4-one Openeye Name: 2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4-one CAS Name: 3-(2-oxolanylmethyl)-2-[[2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-(oxolan-2-ylmethyl)-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]thio]-3-(tetrahydrofurfuryl)quinazolin-4-one Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4

InChI

InChI=1S/C22H25N3O3S/c1-14-11-18(15(2)24(14)3)20(26)13-29-22-23-19-9-5-4-8-17(19)21(27)25(22)12-16-7-6-10-28-16/h4-5,8-9,11,16H,6-7,10,12-13H2,1-3H3