2-[2-(5-nitro-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-[2-(5-nitro-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 3-(3-hydroxypropyl)-2-[2-(5-nitroindolin-1-yl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3-hydroxypropyl)-2-[[2-(5-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(3-hydroxypropyl)-2-[2-(5-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-(3-hydroxypropyl)-2-[[2-keto-2-(5-nitroindolin-1-yl)ethyl]thio]quinazolin-4-one Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=C(C=C2)[N+](=O)[O-])C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCO

Isomeric SMILES

C1CN(C2=C1C=C(C=C2)[N+](=O)[O-])C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCO

InChI

InChI=1S/C21H20N4O5S/c26-11-3-9-24-20(28)16-4-1-2-5-17(16)22-21(24)31-13-19(27)23-10-8-14-12-15(25(29)30)6-7-18(14)23/h1-2,4-7,12,26H,3,8-11,13H2