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

Systemtic Name: 2-ethyl-N-[4-(6-piperazin-1-ylpyridin-3-yl)pyrimidin-2-yl]-1,3-benzoxazol-5-amine Openeye Name: 2-ethyl-N-[4-(6-piperazin-1-yl-3-pyridyl)pyrimidin-2-yl]-1,3-benzoxazol-5-amine CAS Name: 2-ethyl-N-[4-[6-(1-piperazinyl)-3-pyridinyl]-2-pyrimidinyl]-1,3-benzoxazol-5-amine IUPAC Name: 2-ethyl-N-[4-(6-piperazin-1-ylpyridin-3-yl)pyrimidin-2-yl]-1,3-benzoxazol-5-amine Traditional Name: (2-ethyl-1,3-benzoxazol-5-yl)-[4-(6-piperazino-3-pyridyl)pyrimidin-2-yl]amine Formula: C22H23N7O MolecularWeight: 401.46432

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(O1)C=CC(=C2)NC3=NC=CC(=N3)C4=CN=C(C=C4)N5CCNCC5

Isomeric SMILES

CCC1=NC2=C(O1)C=CC(=C2)NC3=NC=CC(=N3)C4=CN=C(C=C4)N5CCNCC5

InChI

InChI=1S/C22H23N7O/c1-2-21-27-18-13-16(4-5-19(18)30-21)26-22-24-8-7-17(28-22)15-3-6-20(25-14-15)29-11-9-23-10-12-29/h3-8,13-14,23H,2,9-12H2,1H3,(H,24,26,28)