2-[2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-3-ethyl-quinazolin-4-one

Systemtic Name: 2-[2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-3-ethyl-quinazolin-4-one Openeye Name: 2-[2-[2,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-3-ethyl-quinazolin-4-one CAS Name: 2-[[2-[2,5-dimethyl-1-[[(2R)-2-oxolanyl]methyl]-3-pyrrolyl]-2-oxoethyl]thio]-3-ethyl-4-quinazolinone IUPAC Name: 2-[2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl]sulfanyl-3-ethylquinazolin-4-one Traditional Name: 2-[[2-[2,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]-2-keto-ethyl]thio]-3-ethyl-quinazolin-4-one Formula: C23H27N3O3S MolecularWeight: 425.54378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=C3)C)CC4CCCO4)C

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=C3)C)C[C@H]4CCCO4)C

InChI

InChI=1S/C23H27N3O3S/c1-4-25-22(28)18-9-5-6-10-20(18)24-23(25)30-14-21(27)19-12-15(2)26(16(19)3)13-17-8-7-11-29-17/h5-6,9-10,12,17H,4,7-8,11,13-14H2,1-3H3/t17-/m1/s1