2-[[4-(2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine

Systemtic Name: 2-[[4-(2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[5-morpholino-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[4-(2-methylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[[4-(2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[[5-morpholino-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]quinazolin-4-yl]amine Formula: C22H23N7OS MolecularWeight: 433.52932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC3=NC4=CC=CC=C4C(=N3)N)N5CCOCC5

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC3=NC4=CC=CC=C4C(=N3)N)N5CCOCC5

InChI

InChI=1S/C22H23N7OS/c1-15-6-2-5-9-18(15)29-21(28-10-12-30-13-11-28)26-27-22(29)31-14-19-24-17-8-4-3-7-16(17)20(23)25-19/h2-9H,10-14H2,1H3,(H2,23,24,25)