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

Systemtic Name: methyl 4-[6-(2-ethylhexylamino)-9-(phenylmethyl)purin-2-yl]piperazine-1-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C26H37N7O2 MolecularWeight: 479.61768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37N7O2/c1-4-6-10-20(5-2)17-27-23-22-24(33(19-28-22)18-21-11-8-7-9-12-21)30-25(29-23)31-13-15-32(16-14-31)26(34)35-3/h7-9,11-12,19-20H,4-6,10,13-18H2,1-3H3,(H,27,29,30)