2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(4,6-dimorpholino-1,3,5-triazin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[[4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]thio]methyl]benzonitrile IUPAC Name: 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(4,6-dimorpholino-s-triazin-2-yl)thio]methyl]benzonitrile Formula: C19H22N6O2S MolecularWeight: 398.48198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC(=N2)SCC3=CC=CC=C3C#N)N4CCOCC4

Isomeric SMILES

C1COCCN1C2=NC(=NC(=N2)SCC3=CC=CC=C3C#N)N4CCOCC4

InChI

InChI=1S/C19H22N6O2S/c20-13-15-3-1-2-4-16(15)14-28-19-22-17(24-5-9-26-10-6-24)21-18(23-19)25-7-11-27-12-8-25/h1-4H,5-12,14H2