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

Systemtic Name: 2-[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Openeye Name: 2-[(1R)-2-indan-5-yl-1-methyl-2-oxo-ethyl]sulfanyl-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one CAS Name: 2-[[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl]thio]-3-[3-(4-morpholin-4-iumyl)propyl]-4-quinazolinone IUPAC Name: 2-[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl]sulfanyl-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Traditional Name: 2-[[(1R)-2-indan-5-yl-2-keto-1-methyl-ethyl]thio]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Formula: C27H32N3O3S+ MolecularWeight: 478.62628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(CCC2)C=C1)SC3=NC4=CC=CC=C4C(=O)N3CCC[NH+]5CCOCC5

Isomeric SMILES

C[C@H](C(=O)C1=CC2=C(CCC2)C=C1)SC3=NC4=CC=CC=C4C(=O)N3CCC[NH+]5CCOCC5

InChI

InChI=1S/C27H31N3O3S/c1-19(25(31)22-11-10-20-6-4-7-21(20)18-22)34-27-28-24-9-3-2-8-23(24)26(32)30(27)13-5-12-29-14-16-33-17-15-29/h2-3,8-11,18-19H,4-7,12-17H2,1H3/p+1/t19-/m1/s1