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

Systemtic Name: 2-methylsulfanyl-N-[4-(6-piperazin-1-ylpyridin-3-yl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine Openeye Name: 2-methylsulfanyl-N-[4-(6-piperazin-1-yl-3-pyridyl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine CAS Name: 2-(methylthio)-N-[4-[6-(1-piperazinyl)-3-pyridinyl]-2-pyrimidinyl]-1,3-benzothiazol-6-amine IUPAC Name: 2-methylsulfanyl-N-[4-(6-piperazin-1-ylpyridin-3-yl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine Traditional Name: [2-(methylthio)-1,3-benzothiazol-6-yl]-[4-(6-piperazino-3-pyridyl)pyrimidin-2-yl]amine Formula: C21H21N7S2 MolecularWeight: 435.56834

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC3=NC=CC(=N3)C4=CN=C(C=C4)N5CCNCC5

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC3=NC=CC(=N3)C4=CN=C(C=C4)N5CCNCC5

InChI

InChI=1S/C21H21N7S2/c1-29-21-27-17-4-3-15(12-18(17)30-21)25-20-23-7-6-16(26-20)14-2-5-19(24-13-14)28-10-8-22-9-11-28/h2-7,12-13,22H,8-11H2,1H3,(H,23,25,26)