2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one

Systemtic Name: 2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Openeye Name: 2-(2-indan-5-yl-2-oxo-ethyl)sulfanyl-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one CAS Name: 2-[[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]thio]-3-[3-(4-morpholin-4-iumyl)propyl]-4-quinazolinone IUPAC Name: 2-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Traditional Name: 2-[(2-indan-5-yl-2-keto-ethyl)thio]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Formula: C26H30N3O3S+ MolecularWeight: 464.5997

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCC[NH+]5CCOCC5

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCC[NH+]5CCOCC5

InChI

InChI=1S/C26H29N3O3S/c30-24(21-10-9-19-5-3-6-20(19)17-21)18-33-26-27-23-8-2-1-7-22(23)25(31)29(26)12-4-11-28-13-15-32-16-14-28/h1-2,7-10,17H,3-6,11-16,18H2/p+1