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

Systemtic Name: 2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[(4-isobutyl-5-morpholino-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[4-(2-methylpropyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[(4-isobutyl-5-morpholino-1,2,4-triazol-3-yl)thio]methyl]quinazolin-4-yl]amine Formula: C19H25N7OS MolecularWeight: 399.5131

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=N2)N)N4CCOCC4

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=N2)N)N4CCOCC4

InChI

InChI=1S/C19H25N7OS/c1-13(2)11-26-18(25-7-9-27-10-8-25)23-24-19(26)28-12-16-21-15-6-4-3-5-14(15)17(20)22-16/h3-6,13H,7-12H2,1-2H3,(H2,20,21,22)