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

Systemtic Name: 2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-methoxypropyl)quinazolin-4-one Openeye Name: 2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-3-(3-methoxypropyl)quinazolin-4-one CAS Name: 2-[[2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]thio]-3-(3-methoxypropyl)-4-quinazolinone IUPAC Name: 2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-(3-methoxypropyl)quinazolin-4-one Traditional Name: 2-[[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-3-(3-methoxypropyl)quinazolin-4-one Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCOC)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCOC)C

InChI

InChI=1S/C22H27N3O3S/c1-5-24-15(2)13-18(16(24)3)20(26)14-29-22-23-19-10-7-6-9-17(19)21(27)25(22)11-8-12-28-4/h6-7,9-10,13H,5,8,11-12,14H2,1-4H3