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

Systemtic Name: (phenylmethyl) 4-[5-[2-(1H-indol-4-ylamino)pyrimidin-4-yl]pyridin-2-yl]piperazine-1-carboxylate Openeye Name: benzyl 4-[5-[2-(1H-indol-4-ylamino)pyrimidin-4-yl]-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[5-[2-(1H-indol-4-ylamino)-4-pyrimidinyl]-2-pyridinyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[5-[2-(1H-indol-4-ylamino)pyrimidin-4-yl]pyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[5-[2-(1H-indol-4-ylamino)pyrimidin-4-yl]-2-pyridyl]piperazine-1-carboxylic acid benzyl ester Formula: C29H27N7O2 MolecularWeight: 505.57038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C3=NC(=NC=C3)NC4=CC=CC5=C4C=CN5)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C3=NC(=NC=C3)NC4=CC=CC5=C4C=CN5)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C29H27N7O2/c37-29(38-20-21-5-2-1-3-6-21)36-17-15-35(16-18-36)27-10-9-22(19-32-27)24-12-14-31-28(33-24)34-26-8-4-7-25-23(26)11-13-30-25/h1-14,19,30H,15-18,20H2,(H,31,33,34)