N-[4-(6-piperazin-1-ylpyridin-3-yl)pyrimidin-2-yl]-2H-benzotriazol-5-amine

Systemtic Name: N-[4-(6-piperazin-1-ylpyridin-3-yl)pyrimidin-2-yl]-2H-benzotriazol-5-amine Openeye Name: N-[4-(6-piperazin-1-yl-3-pyridyl)pyrimidin-2-yl]-2H-benzotriazol-5-amine CAS Name: N-[4-[6-(1-piperazinyl)-3-pyridinyl]-2-pyrimidinyl]-2H-benzotriazol-5-amine IUPAC Name: N-[4-(6-piperazin-1-ylpyridin-3-yl)pyrimidin-2-yl]-2H-benzotriazol-5-amine Traditional Name: 2H-benzotriazol-5-yl-[4-(6-piperazino-3-pyridyl)pyrimidin-2-yl]amine Formula: C19H19N9 MolecularWeight: 373.41446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC=C(C=C2)C3=NC(=NC=C3)NC4=CC5=NNN=C5C=C4

Isomeric SMILES

C1CN(CCN1)C2=NC=C(C=C2)C3=NC(=NC=C3)NC4=CC5=NNN=C5C=C4

InChI

InChI=1S/C19H19N9/c1-4-18(28-9-7-20-8-10-28)22-12-13(1)15-5-6-21-19(24-15)23-14-2-3-16-17(11-14)26-27-25-16/h1-6,11-12,20H,7-10H2,(H,21,23,24)(H,25,26,27)