N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-(phenylmethylsulfanyl)-1,3-benzothiazol-6-amine

Systemtic Name: N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-(phenylmethylsulfanyl)-1,3-benzothiazol-6-amine Openeye Name: 2-benzylsulfanyl-N-(4,6-dimorpholino-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine CAS Name: N-[4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]-2-(phenylmethylthio)-1,3-benzothiazol-6-amine IUPAC Name: 2-benzylsulfanyl-N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine Traditional Name: [2-(benzylthio)-1,3-benzothiazol-6-yl]-(4,6-dimorpholino-s-triazin-2-yl)amine Formula: C25H27N7O2S2 MolecularWeight: 521.65758

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC(=N2)NC3=CC4=C(C=C3)N=C(S4)SCC5=CC=CC=C5)N6CCOCC6

Isomeric SMILES

C1COCCN1C2=NC(=NC(=N2)NC3=CC4=C(C=C3)N=C(S4)SCC5=CC=CC=C5)N6CCOCC6

InChI

InChI=1S/C25H27N7O2S2/c1-2-4-18(5-3-1)17-35-25-27-20-7-6-19(16-21(20)36-25)26-22-28-23(31-8-12-33-13-9-31)30-24(29-22)32-10-14-34-15-11-32/h1-7,16H,8-15,17H2,(H,26,28,29,30)