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

Systemtic Name: 6-chloranyl-3-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]quinazolin-4-one Openeye Name: 6-chloro-3-[2-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-oxo-ethyl]quinazolin-4-one CAS Name: 6-chloro-3-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)-3-pyrrolyl]-2-oxoethyl]-4-quinazolinone IUPAC Name: 6-chloro-3-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxoethyl]quinazolin-4-one Traditional Name: 6-chloro-3-[2-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-keto-ethyl]quinazolin-4-one Formula: C22H20ClN3O2S MolecularWeight: 425.9311

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Cl

InChI

InChI=1S/C22H20ClN3O2S/c1-14-10-18(15(2)26(14)8-7-17-4-3-9-29-17)21(27)12-25-13-24-20-6-5-16(23)11-19(20)22(25)28/h3-6,9-11,13H,7-8,12H2,1-2H3