6-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N2-phenyl-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N2-phenyl-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N2-phenyl-1,3,5-triazine-2,4-diamine CAS Name: 6-[[[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-N2-phenyl-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-s-triazin-2-yl]-phenyl-amine Formula: C22H23N9OS MolecularWeight: 461.54272

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)SCC4=NC(=NC(=N4)NC5=CC=CC=C5)N

Isomeric SMILES

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)SCC4=NC(=NC(=N4)NC5=CC=CC=C5)N

InChI

InChI=1S/C22H23N9OS/c23-19-25-18(26-20(27-19)24-16-7-3-1-4-8-16)15-33-22-29-28-21(30-11-13-32-14-12-30)31(22)17-9-5-2-6-10-17/h1-10H,11-15H2,(H3,23,24,25,26,27)