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

Systemtic Name: 2-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 2-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]sulfanyl-3-(3-hydroxypropyl)quinazolin-4-one CAS Name: 2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]thio]-3-(3-hydroxypropyl)-4-quinazolinone IUPAC Name: 2-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]sulfanyl-3-(3-hydroxypropyl)quinazolin-4-one Traditional Name: 2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]thio]-3-(3-hydroxypropyl)quinazolin-4-one Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C21H23N3O4S/c1-12-18(14(3)26)13(2)22-19(12)17(27)11-29-21-23-16-8-5-4-7-15(16)20(28)24(21)9-6-10-25/h4-5,7-8,22,25H,6,9-11H2,1-3H3