N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine

Systemtic Name: N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine Openeye Name: N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine CAS Name: N-[4-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-pyrimidinyl]-1,3-benzothiazol-6-amine IUPAC Name: N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine Traditional Name: 1,3-benzothiazol-6-yl-[4-(4-pyrrolidinosulfonylphenyl)pyrimidin-2-yl]amine Formula: C21H19N5O2S2 MolecularWeight: 437.53786

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC5=C(C=C4)N=CS5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C21H19N5O2S2/c27-30(28,26-11-1-2-12-26)17-6-3-15(4-7-17)18-9-10-22-21(25-18)24-16-5-8-19-20(13-16)29-14-23-19/h3-10,13-14H,1-2,11-12H2,(H,22,24,25)