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

Systemtic Name: N-[4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine Openeye Name: N-[4-(4-morpholinosulfonylphenyl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine CAS Name: N-[4-[4-(4-morpholinylsulfonyl)phenyl]-2-pyrimidinyl]-1,3-benzothiazol-6-amine IUPAC Name: N-[4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine Traditional Name: 1,3-benzothiazol-6-yl-[4-(4-morpholinosulfonylphenyl)pyrimidin-2-yl]amine Formula: C21H19N5O3S2 MolecularWeight: 453.53726

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC5=C(C=C4)N=CS5

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C21H19N5O3S2/c27-31(28,26-9-11-29-12-10-26)17-4-1-15(2-5-17)18-7-8-22-21(25-18)24-16-3-6-19-20(13-16)30-14-23-19/h1-8,13-14H,9-12H2,(H,22,24,25)