3-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]quinazolin-4-one

Systemtic Name: 3-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]quinazolin-4-one Openeye Name: 3-[2-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-oxo-ethyl]quinazolin-4-one CAS Name: 3-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)-3-pyrrolyl]-2-oxoethyl]-4-quinazolinone IUPAC Name: 3-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxoethyl]quinazolin-4-one Traditional Name: 3-[2-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-keto-ethyl]quinazolin-4-one Formula: C22H21N3O2S MolecularWeight: 391.48604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)CN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)CN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H21N3O2S/c1-15-12-19(16(2)25(15)10-9-17-6-5-11-28-17)21(26)13-24-14-23-20-8-4-3-7-18(20)22(24)27/h3-8,11-12,14H,9-10,13H2,1-2H3