phenyl 4-[6-(2-ethylhexylamino)-9-(phenylmethyl)purin-2-yl]piperazine-1-carboxylate

Systemtic Name: phenyl 4-[6-(2-ethylhexylamino)-9-(phenylmethyl)purin-2-yl]piperazine-1-carboxylate Openeye Name: phenyl 4-[9-benzyl-6-(2-ethylhexylamino)purin-2-yl]piperazine-1-carboxylate CAS Name: 4-[6-(2-ethylhexylamino)-9-(phenylmethyl)-2-purinyl]-1-piperazinecarboxylic acid phenyl ester IUPAC Name: phenyl 4-[9-benzyl-6-(2-ethylhexylamino)purin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[9-benzyl-6-(2-ethylhexylamino)purin-2-yl]piperazine-1-carboxylic acid phenyl ester Formula: C31H39N7O2 MolecularWeight: 541.68706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N4CCN(CC4)C(=O)OC5=CC=CC=C5

Isomeric SMILES

CCCCC(CC)CNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N4CCN(CC4)C(=O)OC5=CC=CC=C5

InChI

InChI=1S/C31H39N7O2/c1-3-5-12-24(4-2)21-32-28-27-29(38(23-33-27)22-25-13-8-6-9-14-25)35-30(34-28)36-17-19-37(20-18-36)31(39)40-26-15-10-7-11-16-26/h6-11,13-16,23-24H,3-5,12,17-22H2,1-2H3,(H,32,34,35)