(phenylmethyl) 4-[5-[2-(2H-benzotriazol-5-ylamino)pyrimidin-4-yl]pyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[5-[2-(2H-benzotriazol-5-ylamino)pyrimidin-4-yl]pyridin-2-yl]piperazine-1-carboxylate Openeye Name: benzyl 4-[5-[2-(2H-benzotriazol-5-ylamino)pyrimidin-4-yl]-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[5-[2-(2H-benzotriazol-5-ylamino)-4-pyrimidinyl]-2-pyridinyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[5-[2-(2H-benzotriazol-5-ylamino)pyrimidin-4-yl]pyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[5-[2-(2H-benzotriazol-5-ylamino)pyrimidin-4-yl]-2-pyridyl]piperazine-1-carboxylic acid benzyl ester Formula: C27H25N9O2 MolecularWeight: 507.5465

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C3=NC(=NC=C3)NC4=CC5=NNN=C5C=C4)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C3=NC(=NC=C3)NC4=CC5=NNN=C5C=C4)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C27H25N9O2/c37-27(38-18-19-4-2-1-3-5-19)36-14-12-35(13-15-36)25-9-6-20(17-29-25)22-10-11-28-26(31-22)30-21-7-8-23-24(16-21)33-34-32-23/h1-11,16-17H,12-15,18H2,(H,28,30,31)(H,32,33,34)