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

Systemtic Name: N-[4-(4-piperazin-1-ylsulfonylphenyl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine Openeye Name: N-[4-(4-piperazin-1-ylsulfonylphenyl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine CAS Name: N-[4-[4-(1-piperazinylsulfonyl)phenyl]-2-pyrimidinyl]-1,3-benzothiazol-6-amine IUPAC Name: N-[4-(4-piperazin-1-ylsulfonylphenyl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine Traditional Name: 1,3-benzothiazol-6-yl-[4-(4-piperazinosulfonylphenyl)pyrimidin-2-yl]amine Formula: C21H20N6O2S2 MolecularWeight: 452.5525

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC5=C(C=C4)N=CS5

Isomeric SMILES

C1CN(CCN1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C21H20N6O2S2/c28-31(29,27-11-9-22-10-12-27)17-4-1-15(2-5-17)18-7-8-23-21(26-18)25-16-3-6-19-20(13-16)30-14-24-19/h1-8,13-14,22H,9-12H2,(H,23,25,26)