7-chloranyl-2-[[5-(3-morpholin-4-ylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]quinazolin-4-olate

Systemtic Name: 7-chloranyl-2-[[5-(3-morpholin-4-ylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[[5-(3-morpholinopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]quinazolin-4-olate CAS Name: 7-chloro-2-[[[5-[3-(4-morpholinyl)propylamino]-1,3,4-thiadiazol-2-yl]thio]methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[[5-(3-morpholin-4-ylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[[[5-(3-morpholinopropylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]quinazolin-4-olate Formula: C18H20ClN6O2S2- MolecularWeight: 451.9734

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC2=NN=C(S2)SCC3=NC4=C(C=CC(=C4)Cl)C(=N3)[O-]

Isomeric SMILES

C1COCCN1CCCNC2=NN=C(S2)SCC3=NC4=C(C=CC(=C4)Cl)C(=N3)[O-]

InChI

InChI=1S/C18H21ClN6O2S2/c19-12-2-3-13-14(10-12)21-15(22-16(13)26)11-28-18-24-23-17(29-18)20-4-1-5-25-6-8-27-9-7-25/h2-3,10H,1,4-9,11H2,(H,20,23)(H,21,22,26)/p-1