2-methyl-N-[4-(6-piperazin-1-ylpyridin-3-yl)pyrimidin-2-yl]-1,3-benzothiazol-5-amine

Systemtic Name: 2-methyl-N-[4-(6-piperazin-1-ylpyridin-3-yl)pyrimidin-2-yl]-1,3-benzothiazol-5-amine Openeye Name: 2-methyl-N-[4-(6-piperazin-1-yl-3-pyridyl)pyrimidin-2-yl]-1,3-benzothiazol-5-amine CAS Name: 2-methyl-N-[4-[6-(1-piperazinyl)-3-pyridinyl]-2-pyrimidinyl]-1,3-benzothiazol-5-amine IUPAC Name: 2-methyl-N-[4-(6-piperazin-1-ylpyridin-3-yl)pyrimidin-2-yl]-1,3-benzothiazol-5-amine Traditional Name: (2-methyl-1,3-benzothiazol-5-yl)-[4-(6-piperazino-3-pyridyl)pyrimidin-2-yl]amine Formula: C21H21N7S MolecularWeight: 403.50334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)NC3=NC=CC(=N3)C4=CN=C(C=C4)N5CCNCC5

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)NC3=NC=CC(=N3)C4=CN=C(C=C4)N5CCNCC5

InChI

InChI=1S/C21H21N7S/c1-14-25-18-12-16(3-4-19(18)29-14)26-21-23-7-6-17(27-21)15-2-5-20(24-13-15)28-10-8-22-9-11-28/h2-7,12-13,22H,8-11H2,1H3,(H,23,26,27)