N-ethyl-4-morpholin-4-yl-6-[3-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]-1,3,5-triazin-2-amine

Systemtic Name: N-ethyl-4-morpholin-4-yl-6-[3-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]-1,3,5-triazin-2-amine Openeye Name: 4-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-N-ethyl-6-morpholino-1,3,5-triazin-2-amine CAS Name: N-ethyl-4-(4-morpholinyl)-6-[3-(phenylmethylthio)-1,2,4-triazol-1-yl]-1,3,5-triazin-2-amine IUPAC Name: 4-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-N-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine Traditional Name: [4-[3-(benzylthio)-1,2,4-triazol-1-yl]-6-morpholino-s-triazin-2-yl]-ethyl-amine Formula: C18H22N8OS MolecularWeight: 398.48528

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC(=N1)N2CCOCC2)N3C=NC(=N3)SCC4=CC=CC=C4

Isomeric SMILES

CCNC1=NC(=NC(=N1)N2CCOCC2)N3C=NC(=N3)SCC4=CC=CC=C4

InChI

InChI=1S/C18H22N8OS/c1-2-19-15-21-16(25-8-10-27-11-9-25)23-17(22-15)26-13-20-18(24-26)28-12-14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3,(H,19,21,22,23)