(phenylmethyl) 4-[5-[2-(quinolin-6-ylamino)pyrimidin-4-yl]pyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[5-[2-(quinolin-6-ylamino)pyrimidin-4-yl]pyridin-2-yl]piperazine-1-carboxylate Openeye Name: benzyl 4-[5-[2-(6-quinolylamino)pyrimidin-4-yl]-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[5-[2-(6-quinolinylamino)-4-pyrimidinyl]-2-pyridinyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[5-[2-(quinolin-6-ylamino)pyrimidin-4-yl]pyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[5-[2-(6-quinolylamino)pyrimidin-4-yl]-2-pyridyl]piperazine-1-carboxylic acid benzyl ester Formula: C30H27N7O2 MolecularWeight: 517.58108

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C3=NC(=NC=C3)NC4=CC5=C(C=C4)N=CC=C5)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C3=NC(=NC=C3)NC4=CC5=C(C=C4)N=CC=C5)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C30H27N7O2/c38-30(39-21-22-5-2-1-3-6-22)37-17-15-36(16-18-37)28-11-8-24(20-33-28)27-12-14-32-29(35-27)34-25-9-10-26-23(19-25)7-4-13-31-26/h1-14,19-20H,15-18,21H2,(H,32,34,35)