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

Systemtic Name: 7-chloranyl-2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-methoxypropyl)quinazolin-4-one Openeye Name: 7-chloro-2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-3-(3-methoxypropyl)quinazolin-4-one CAS Name: 7-chloro-2-[[2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]thio]-3-(3-methoxypropyl)-4-quinazolinone IUPAC Name: 7-chloro-2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-(3-methoxypropyl)quinazolin-4-one Traditional Name: 7-chloro-2-[[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-3-(3-methoxypropyl)quinazolin-4-one Formula: C22H26ClN3O3S MolecularWeight: 447.97814

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCCOC)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCCOC)C

InChI

InChI=1S/C22H26ClN3O3S/c1-5-25-14(2)11-18(15(25)3)20(27)13-30-22-24-19-12-16(23)7-8-17(19)21(28)26(22)9-6-10-29-4/h7-8,11-12H,5-6,9-10,13H2,1-4H3