2-[2-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-[2-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 3-(3-hydroxypropyl)-2-[2-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3-hydroxypropyl)-2-[[2-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(3-hydroxypropyl)-2-[2-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-(3-hydroxypropyl)-2-[[2-keto-2-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]ethyl]thio]quinazolin-4-one Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCO

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCO

InChI

InChI=1S/C26H27N3O4S/c1-17-15-22(18(2)29(17)19-9-11-20(33-3)12-10-19)24(31)16-34-26-27-23-8-5-4-7-21(23)25(32)28(26)13-6-14-30/h4-5,7-12,15,30H,6,13-14,16H2,1-3H3