N-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)-2-ethylsulfanyl-1,3-benzothiazol-6-amine

Systemtic Name: N-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)-2-ethylsulfanyl-1,3-benzothiazol-6-amine Openeye Name: N-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)-2-ethylsulfanyl-1,3-benzothiazol-6-amine CAS Name: N-[4,6-bis(1-pyrrolidinyl)-1,3,5-triazin-2-yl]-2-(ethylthio)-1,3-benzothiazol-6-amine IUPAC Name: N-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)-2-ethylsulfanyl-1,3-benzothiazol-6-amine Traditional Name: (4,6-dipyrrolidino-s-triazin-2-yl)-[2-(ethylthio)-1,3-benzothiazol-6-yl]amine Formula: C20H25N7S2 MolecularWeight: 427.5894

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(S1)C=C(C=C2)NC3=NC(=NC(=N3)N4CCCC4)N5CCCC5

Isomeric SMILES

CCSC1=NC2=C(S1)C=C(C=C2)NC3=NC(=NC(=N3)N4CCCC4)N5CCCC5

InChI

InChI=1S/C20H25N7S2/c1-2-28-20-22-15-8-7-14(13-16(15)29-20)21-17-23-18(26-9-3-4-10-26)25-19(24-17)27-11-5-6-12-27/h7-8,13H,2-6,9-12H2,1H3,(H,21,23,24,25)