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

Systemtic Name: 2-butylsulfanyl-N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine Openeye Name: 2-butylsulfanyl-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-(butylthio)-1,3-benzothiazol-6-amine IUPAC Name: 2-butylsulfanyl-N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine Traditional Name: [2-(butylthio)-1,3-benzothiazol-6-yl]-(4,6-dimorpholino-s-triazin-2-yl)amine Formula: C22H29N7O2S2 MolecularWeight: 487.64136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(S1)C=C(C=C2)NC3=NC(=NC(=N3)N4CCOCC4)N5CCOCC5

Isomeric SMILES

CCCCSC1=NC2=C(S1)C=C(C=C2)NC3=NC(=NC(=N3)N4CCOCC4)N5CCOCC5

InChI

InChI=1S/C22H29N7O2S2/c1-2-3-14-32-22-24-17-5-4-16(15-18(17)33-22)23-19-25-20(28-6-10-30-11-7-28)27-21(26-19)29-8-12-31-13-9-29/h4-5,15H,2-3,6-14H2,1H3,(H,23,25,26,27)