2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-one

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-3-[[(2S)-tetrahydrofuran-2-yl]methyl]quinazolin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-3-[[(2S)-2-oxolanyl]methyl]-4-quinazolinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-3-[[(2S)-tetrahydrofuran-2-yl]methyl]quinazolin-4-one Formula: C21H27N3O3S MolecularWeight: 401.52238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C[C@@H]4CCCO4

InChI

InChI=1S/C21H27N3O3S/c25-19(23-11-5-1-2-6-12-23)15-28-21-22-18-10-4-3-9-17(18)20(26)24(21)14-16-8-7-13-27-16/h3-4,9-10,16H,1-2,5-8,11-15H2/t16-/m0/s1