2-[2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-[2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 3-(3-hydroxypropyl)-2-[2-(1-methylpyrrol-2-yl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3-hydroxypropyl)-2-[[2-(1-methyl-2-pyrrolyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(3-hydroxypropyl)-2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-(3-hydroxypropyl)-2-[[2-keto-2-(1-methylpyrrol-2-yl)ethyl]thio]quinazolin-4-one Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

CN1C=CC=C1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C18H19N3O3S/c1-20-9-4-8-15(20)16(23)12-25-18-19-14-7-3-2-6-13(14)17(24)21(18)10-5-11-22/h2-4,6-9,22H,5,10-12H2,1H3