2-[2-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one

Systemtic Name: 2-[2-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one Openeye Name: 2-[2-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-3-(3-morpholinopropyl)quinazolin-4-one CAS Name: 2-[[2-[1-(2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-3-[3-(4-morpholinyl)propyl]-4-quinazolinone IUPAC Name: 2-[2-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one Traditional Name: 2-[[2-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]thio]-3-(3-morpholinopropyl)quinazolin-4-one Formula: C29H31FN4O3S MolecularWeight: 534.644843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2F)C)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCN5CCOCC5

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2F)C)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCN5CCOCC5

InChI

InChI=1S/C29H31FN4O3S/c1-20-18-23(21(2)34(20)26-11-6-4-9-24(26)30)27(35)19-38-29-31-25-10-5-3-8-22(25)28(36)33(29)13-7-12-32-14-16-37-17-15-32/h3-6,8-11,18H,7,12-17,19H2,1-2H3