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

Systemtic Name: 2-[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 2-[2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-3-(3-hydroxypropyl)quinazolin-4-one CAS Name: 2-[[2-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-2-oxoethyl]thio]-3-(3-hydroxypropyl)-4-quinazolinone IUPAC Name: 2-[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-3-(3-hydroxypropyl)quinazolin-4-one Traditional Name: 2-[[2-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-keto-ethyl]thio]-3-(3-hydroxypropyl)quinazolin-4-one Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCO)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCO)C

InChI

InChI=1S/C26H27N3O3S/c1-17-9-11-20(12-10-17)29-18(2)15-22(19(29)3)24(31)16-33-26-27-23-8-5-4-7-21(23)25(32)28(26)13-6-14-30/h4-5,7-12,15,30H,6,13-14,16H2,1-3H3