N-[8-ethyl-6-(2-methylpyrrolidin-1-yl)-7H-purin-2-yl]-1,3-benzothiazol-6-amine

Systemtic Name: N-[8-ethyl-6-(2-methylpyrrolidin-1-yl)-7H-purin-2-yl]-1,3-benzothiazol-6-amine Openeye Name: N-[8-ethyl-6-(2-methylpyrrolidin-1-yl)-7H-purin-2-yl]-1,3-benzothiazol-6-amine CAS Name: N-[8-ethyl-6-(2-methyl-1-pyrrolidinyl)-7H-purin-2-yl]-1,3-benzothiazol-6-amine IUPAC Name: N-[8-ethyl-6-(2-methylpyrrolidin-1-yl)-7H-purin-2-yl]-1,3-benzothiazol-6-amine Traditional Name: 1,3-benzothiazol-6-yl-[8-ethyl-6-(2-methylpyrrolidino)-7H-purin-2-yl]amine Formula: C19H21N7S MolecularWeight: 379.48194

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1)C(=NC(=N2)NC3=CC4=C(C=C3)N=CS4)N5CCCC5C

Isomeric SMILES

CCC1=NC2=C(N1)C(=NC(=N2)NC3=CC4=C(C=C3)N=CS4)N5CCCC5C

InChI

InChI=1S/C19H21N7S/c1-3-15-22-16-17(23-15)24-19(25-18(16)26-8-4-5-11(26)2)21-12-6-7-13-14(9-12)27-10-20-13/h6-7,9-11H,3-5,8H2,1-2H3,(H2,21,22,23,24,25)