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

Systemtic Name: 2-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one Openeye Name: 2-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one CAS Name: 2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]thio]-3-(2-methoxyethyl)-4-quinazolinone IUPAC Name: 2-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one Traditional Name: 2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]thio]-3-(2-methoxyethyl)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)N2CCOC

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCOC

InChI

InChI=1S/C21H23N3O4S/c1-12-18(14(3)25)13(2)22-19(12)17(26)11-29-21-23-16-8-6-5-7-15(16)20(27)24(21)9-10-28-4/h5-8,22H,9-11H2,1-4H3