4-(1,3-benzothiazol-6-ylmethyl)-6-pyrrolidin-1-yl-N-(2H-1,2,3-triazol-4-yl)-1,3,5-triazin-2-amine

Systemtic Name: 4-(1,3-benzothiazol-6-ylmethyl)-6-pyrrolidin-1-yl-N-(2H-1,2,3-triazol-4-yl)-1,3,5-triazin-2-amine Openeye Name: 4-(1,3-benzothiazol-6-ylmethyl)-6-pyrrolidin-1-yl-N-(2H-triazol-4-yl)-1,3,5-triazin-2-amine CAS Name: 4-(1,3-benzothiazol-6-ylmethyl)-6-(1-pyrrolidinyl)-N-(2H-triazol-4-yl)-1,3,5-triazin-2-amine IUPAC Name: 4-(1,3-benzothiazol-6-ylmethyl)-6-pyrrolidin-1-yl-N-(2H-triazol-4-yl)-1,3,5-triazin-2-amine Traditional Name: [4-(1,3-benzothiazol-6-ylmethyl)-6-pyrrolidino-s-triazin-2-yl]-(2H-triazol-4-yl)amine Formula: C17H17N9S MolecularWeight: 379.44218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC(=N2)CC3=CC4=C(C=C3)N=CS4)NC5=NNN=C5

Isomeric SMILES

C1CCN(C1)C2=NC(=NC(=N2)CC3=CC4=C(C=C3)N=CS4)NC5=NNN=C5

InChI

InChI=1S/C17H17N9S/c1-2-6-26(5-1)17-22-14(20-16(23-17)21-15-9-19-25-24-15)8-11-3-4-12-13(7-11)27-10-18-12/h3-4,7,9-10H,1-2,5-6,8H2,(H2,19,20,21,22,23,24,25)